2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide

C12H18N2O3S2 — CID 84596171

IUPAC2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2C(N)=O)sc1C
InChIInChI=1S/C12H18N2O3S2/c1-7-6-11(18-8(7)2)19(16,17)14-10-5-3-4-9(10)12(13)15/h6,9-10,14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyGDEHPOZALQLXFK-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.30
Rot. Bonds4

About 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide

2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 84596171) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID84596171
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2C(N)=O)sc1C
InChIInChI=1S/C12H18N2O3S2/c1-7-6-11(18-8(7)2)19(16,17)14-10-5-3-4-9(10)12(13)15/h6,9-10,14H,3-5H2,1-2H3,(H2,13,15)
InChIKeyGDEHPOZALQLXFK-UHFFFAOYSA-N
XLogP1.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide (CID 84596171) is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide is Cc1cc(S(=O)(=O)NC2CCCC2C(N)=O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is GDEHPOZALQLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-7-6-11(18-8(7)2)19(16,17)14-10-5-3-4-9(10)12(13)15/h6,9-10,14H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide?
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 84596171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).