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

C20H30N4O6S2 — CID 143243387

IUPACN-[(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
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cnc(NS(C)(=O)=O)s1
InChIInChI=1S/C20H30N4O6S2/c1-4-14-16(13(25)11-30-14)23-17(26)12(9-20(2)7-5-6-8-20)22-18(27)15-10-21-19(31-15)24-32(3,28)29/h10,12,14,16H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t12-,14-,16+/m0/s1
InChIKeyYGWRBCZABIZQQN-DUVNUKRYSA-N
MW486.62 g/mol
LogP1.45
Rot. Bonds9

About 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

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 (PubChem CID 143243387) has the molecular formula C20H30N4O6S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID143243387
Molecular FormulaC20H30N4O6S2
Molecular Weight486.62 g/mol
Exact Mass486.16
IUPAC NameN-[(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
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cnc(NS(C)(=O)=O)s1
InChIInChI=1S/C20H30N4O6S2/c1-4-14-16(13(25)11-30-14)23-17(26)12(9-20(2)7-5-6-8-20)22-18(27)15-10-21-19(31-15)24-32(3,28)29/h10,12,14,16H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t12-,14-,16+/m0/s1
InChIKeyYGWRBCZABIZQQN-DUVNUKRYSA-N
XLogP1.45
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cnc(NS(C)(=O)=O)s1.
What is the InChIKey of 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?
The InChIKey is YGWRBCZABIZQQN-DUVNUKRYSA-N. The full InChI is InChI=1S/C20H30N4O6S2/c1-4-14-16(13(25)11-30-14)23-17(26)12(9-20(2)7-5-6-8-20)22-18(27)15-10-21-19(31-15)24-32(3,28)29/h10,12,14,16H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t12-,14-,16+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 486.62 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143243387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).