2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide

C17H19N3O3S2 — CID 25325724

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-25(22,23)20-14-8-6-13(7-9-14)15-11-24-17(18-15)19-16(21)10-12-4-2-3-5-12/h2,4,6-9,11-12,20H,3,5,10H2,1H3,(H,18,19,21)/t12-/m0/s1
InChIKeyBTPSJKICLIDYJJ-LBPRGKRZSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 25325724) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID25325724
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-25(22,23)20-14-8-6-13(7-9-14)15-11-24-17(18-15)19-16(21)10-12-4-2-3-5-12/h2,4,6-9,11-12,20H,3,5,10H2,1H3,(H,18,19,21)/t12-/m0/s1
InChIKeyBTPSJKICLIDYJJ-LBPRGKRZSA-N
XLogP3.48
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534279
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 55384138
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286
ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
CID 38430064
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 24568443

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide (CID 25325724) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BTPSJKICLIDYJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-25(22,23)20-14-8-6-13(7-9-14)15-11-24-17(18-15)19-16(21)10-12-4-2-3-5-12/h2,4,6-9,11-12,20H,3,5,10H2,1H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 25325724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).