1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide

C17H27N3O3S — CID 50975943

IUPAC1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NCCN(C)S(C)(=O)=O)CCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-14-6-8-15(9-7-14)19-17(10-4-5-11-17)16(21)18-12-13-20(2)24(3,22)23/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyUKKKIPNCFPYHSX-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.73
Rot. Bonds7

About 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide

1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 50975943) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID50975943
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NCCN(C)S(C)(=O)=O)CCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-14-6-8-15(9-7-14)19-17(10-4-5-11-17)16(21)18-12-13-20(2)24(3,22)23/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyUKKKIPNCFPYHSX-UHFFFAOYSA-N
XLogP1.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide (CID 50975943) is 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide is Cc1ccc(NC2(C(=O)NCCN(C)S(C)(=O)=O)CCCC2)cc1.
What is the InChIKey of 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is UKKKIPNCFPYHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-6-8-15(9-7-14)19-17(10-4-5-11-17)16(21)18-12-13-20(2)24(3,22)23/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21).
What are the key properties of 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide?
1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)-N-[2-[methyl(methylsulfonyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 50975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).