N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C19H24N4O5S2 — CID 2571326

IUPACN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1nccs1
InChIInChI=1S/C19H24N4O5S2/c1-13(2)16(18(25)22-19-20-6-11-29-19)21-17(24)14-4-3-5-15(12-14)30(26,27)23-7-9-28-10-8-23/h3-6,11-13,16H,7-10H2,1-2H3,(H,21,24)(H,20,22,25)/t16-/m0/s1
InChIKeyDQUWJTRSGFJKOE-INIZCTEOSA-N
MW452.56 g/mol
LogP1.56
Rot. Bonds7

About N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2571326) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2571326
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1nccs1
InChIInChI=1S/C19H24N4O5S2/c1-13(2)16(18(25)22-19-20-6-11-29-19)21-17(24)14-4-3-5-15(12-14)30(26,27)23-7-9-28-10-8-23/h3-6,11-13,16H,7-10H2,1-2H3,(H,21,24)(H,20,22,25)/t16-/m0/s1
InChIKeyDQUWJTRSGFJKOE-INIZCTEOSA-N
XLogP1.56
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
(2S)-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25069589
(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25073999
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-(2-methoxy-ethyl)-N'-thiazol-2-yl-succinamide
CID 647693
2-Methyl-N-[1-(thiazol-2-ylcarbamoylmethyl)-piperidin-4-yl]-benzamide
CID 648924
4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benzamide
CID 652627
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
CID 1101752
4-(piperidin-1-ylsulfonyl)-N-(thiazol-2-yl)benzamide
CID 1158565
3-methyl-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2082449
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2093058

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 2571326) is N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1nccs1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DQUWJTRSGFJKOE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-13(2)16(18(25)22-19-20-6-11-29-19)21-17(24)14-4-3-5-15(12-14)30(26,27)23-7-9-28-10-8-23/h3-6,11-13,16H,7-10H2,1-2H3,(H,21,24)(H,20,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2571326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).