1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide

C16H18N2O3S2 — CID 24595762

IUPAC1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide
SMILESCn1ccs/c1=N/C(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O3S2/c1-18-11-12-22-15(18)17-14(19)16(9-5-6-10-16)23(20,21)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/b17-15+
InChIKeyYICQHKNKHOJGDX-BMRADRMJSA-N
MW350.46 g/mol
LogP2.30
Rot. Bonds3

About 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide (PubChem CID 24595762) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide
PubChem CID24595762
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide
SMILESCn1ccs/c1=N/C(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O3S2/c1-18-11-12-22-15(18)17-14(19)16(9-5-6-10-16)23(20,21)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/b17-15+
InChIKeyYICQHKNKHOJGDX-BMRADRMJSA-N
XLogP2.30
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide (CID 24595762) is 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide is Cn1ccs/c1=N/C(=O)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide?
The InChIKey is YICQHKNKHOJGDX-BMRADRMJSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18-11-12-22-15(18)17-14(19)16(9-5-6-10-16)23(20,21)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3/b17-15+.
What are the key properties of 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)cyclopentane-1-carboxamide is sourced from PubChem (CID 24595762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).