1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide

C16H23NOS — CID 55436081

IUPAC1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(SCCNC(=O)C2(C)CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-13-5-7-14(8-6-13)19-12-11-17-15(18)16(2)9-3-4-10-16/h5-8H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyCIGRIZMXRCJMIA-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.78
Rot. Bonds5

About 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide

1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide (PubChem CID 55436081) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
PubChem CID55436081
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(SCCNC(=O)C2(C)CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-13-5-7-14(8-6-13)19-12-11-17-15(18)16(2)9-3-4-10-16/h5-8H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyCIGRIZMXRCJMIA-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopropane-1-carboxamide
CID 46474945
2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 110015113
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfanylcyclopentane-1-carboxamide
CID 119430614
3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]propanoic acid
CID 119351204
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141
(2S)-2-(carbamoylamino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 32710807
4-[3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxopropyl]benzoic acid
CID 119181630
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide (CID 55436081) is 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide is Cc1ccc(SCCNC(=O)C2(C)CCCC2)cc1.
What is the InChIKey of 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The InChIKey is CIGRIZMXRCJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-13-5-7-14(8-6-13)19-12-11-17-15(18)16(2)9-3-4-10-16/h5-8H,3-4,9-12H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide has a molecular weight of 277.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).