4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide

C27H36N4O6S2 — CID 25242431

IUPAC4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C27H36N4O6S2/c1-5-22-23(21(32)15-37-22)30-25(34)20(14-27(4)12-6-7-13-27)29-24(33)18-8-10-19(11-9-18)31-39(35,36)26-16(2)28-17(3)38-26/h8-11,20,22-23,31H,5-7,12-15H2,1-4H3,(H,29,33)(H,30,34)/t20-,22-,23+/m0/s1
InChIKeyDJRVVLWXUBGPPP-ACIOBRDBSA-N
MW576.74 g/mol
LogP3.49
Rot. Bonds10

About 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide

4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide (PubChem CID 25242431) has the molecular formula C27H36N4O6S2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide
PubChem CID25242431
Molecular FormulaC27H36N4O6S2
Molecular Weight576.74 g/mol
Exact Mass576.21
IUPAC Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C27H36N4O6S2/c1-5-22-23(21(32)15-37-22)30-25(34)20(14-27(4)12-6-7-13-27)29-24(33)18-8-10-19(11-9-18)31-39(35,36)26-16(2)28-17(3)38-26/h8-11,20,22-23,31H,5-7,12-15H2,1-4H3,(H,29,33)(H,30,34)/t20-,22-,23+/m0/s1
InChIKeyDJRVVLWXUBGPPP-ACIOBRDBSA-N
XLogP3.49
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.74
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]benzamide
CID 44571214
N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide
CID 143243356
4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfanylamino]-N-[(2S)-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]benzamide;(4S,5S)-5-ethyl-4-methyloxolan-3-one
CID 143243453
N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-5-carboxamide
CID 143243387
N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 143243394
N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 70325462
4-(benzylamino)-N-[(2S)-3-(1-methylcyclopentyl)-1-oxo-1-[[(3S)-4-oxo-2-propyloxolan-3-yl]amino]propan-2-yl]benzamide
CID 143243476
3-amino-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-fluorobenzamide
CID 70326171
3-chloro-4-(methanesulfonamido)-N-[(2S)-3-(1-methylcyclopentyl)-1-[[(2S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 70325518
N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide
CID 22935937
ethane;N-[4-[[3-(1-methylcyclobutyl)-1-oxo-1-[[(3S)-4-oxooxolan-3-yl]amino]propan-2-yl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 143243334
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide (CID 25242431) is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide is CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?
The InChIKey is DJRVVLWXUBGPPP-ACIOBRDBSA-N. The full InChI is InChI=1S/C27H36N4O6S2/c1-5-22-23(21(32)15-37-22)30-25(34)20(14-27(4)12-6-7-13-27)29-24(33)18-8-10-19(11-9-18)31-39(35,36)26-16(2)28-17(3)38-26/h8-11,20,22-23,31H,5-7,12-15H2,1-4H3,(H,29,33)(H,30,34)/t20-,22-,23+/m0/s1.
What are the key properties of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide?
4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide has a molecular weight of 576.74 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 25242431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).