(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C23H30N4O4S2 — CID 25073999

IUPAC(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(S(=O)(=O)N2CCN([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)C(=O)C2)c1
InChIInChI=1S/C23H30N4O4S2/c1-17-6-5-9-19(14-17)33(30,31)26-11-12-27(21(28)16-26)20(15-18-7-3-2-4-8-18)22(29)25-23-24-10-13-32-23/h5-6,9-10,13-14,18,20H,2-4,7-8,11-12,15-16H2,1H3,(H,24,25,29)/t20-/m0/s1
InChIKeyIQEWSGVCADHSJJ-FQEVSTJZSA-N
MW490.65 g/mol
LogP3.26
Rot. Bonds7

About (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 25073999) has the molecular formula C23H30N4O4S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID25073999
Molecular FormulaC23H30N4O4S2
Molecular Weight490.65 g/mol
Exact Mass490.17
IUPAC Name(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(S(=O)(=O)N2CCN([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)C(=O)C2)c1
InChIInChI=1S/C23H30N4O4S2/c1-17-6-5-9-19(14-17)33(30,31)26-11-12-27(21(28)16-26)20(15-18-7-3-2-4-8-18)22(29)25-23-24-10-13-32-23/h5-6,9-10,13-14,18,20H,2-4,7-8,11-12,15-16H2,1H3,(H,24,25,29)/t20-/m0/s1
InChIKeyIQEWSGVCADHSJJ-FQEVSTJZSA-N
XLogP3.26
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(thiazol-2-yl)-1-tosylpyrrolidine-2-carboxamide
CID 3739028
(2S)-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25069589
(2S)-2-[4-(3-chlorophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25071203
(2S)-3-cyclohexyl-2-[4-(2-fluoro-4-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 25072138
(2S)-3-cyclohexyl-2-[4-(3,5-difluorophenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 57657277
6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
CID 647437
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2475600
2-[(4-methylphenyl)sulfonyl]-N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 3744337
2-phenyl-2-piperidino-N-(1,3-thiazol-2-yl)acetamide
CID 3767568
(2S)-2-(5-methylidene-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazepin-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24747482
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822129
2-[(4-fluorophenyl)sulfonyl]-N-1,3-thiazol-2-yl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 2905832

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 25073999) is (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cccc(S(=O)(=O)N2CCN([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)C(=O)C2)c1.
What is the InChIKey of (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IQEWSGVCADHSJJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O4S2/c1-17-6-5-9-19(14-17)33(30,31)26-11-12-27(21(28)16-26)20(15-18-7-3-2-4-8-18)22(29)25-23-24-10-13-32-23/h5-6,9-10,13-14,18,20H,2-4,7-8,11-12,15-16H2,1H3,(H,24,25,29)/t20-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 490.65 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-[4-(3-methylphenyl)sulfonyl-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 25073999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).