N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide

C17H26N2O3S — CID 119044598

IUPACN-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C17H26N2O3S/c1-4-18-16(20)17(11-5-6-12-17)19-23(21,22)15-9-7-14(8-10-15)13(2)3/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyVOGXKTCLPUWUJW-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.54
Rot. Bonds6

About N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide

N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 119044598) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID119044598
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C17H26N2O3S/c1-4-18-16(20)17(11-5-6-12-17)19-23(21,22)15-9-7-14(8-10-15)13(2)3/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyVOGXKTCLPUWUJW-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide (CID 119044598) is N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide is CCNC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)cc2)CCCC1.
What is the InChIKey of N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is VOGXKTCLPUWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-18-16(20)17(11-5-6-12-17)19-23(21,22)15-9-7-14(8-10-15)13(2)3/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 119044598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).