4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide

C16H24N2OS — CID 119333559

IUPAC4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CSC2CCCC2)c1
InChIInChI=1S/C16H24N2OS/c17-10-4-9-16(19)18-14-6-3-5-13(11-14)12-20-15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19)
InChIKeyKRPCRCGXFWKRHM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.54
Rot. Bonds7

About 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide

4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide (PubChem CID 119333559) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
PubChem CID119333559
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CSC2CCCC2)c1
InChIInChI=1S/C16H24N2OS/c17-10-4-9-16(19)18-14-6-3-5-13(11-14)12-20-15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19)
InChIKeyKRPCRCGXFWKRHM-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119333538
2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119329248
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057
4-(aminomethyl)-N-[3-(cyclohexylsulfanylmethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120933844
3-[[3-(cyclohexylsulfanylmethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122084918
(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111475040
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide (CID 119333559) is 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide is NCCCC(=O)Nc1cccc(CSC2CCCC2)c1.
What is the InChIKey of 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide?
The InChIKey is KRPCRCGXFWKRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-10-4-9-16(19)18-14-6-3-5-13(11-14)12-20-15-7-1-2-8-15/h3,5-6,11,15H,1-2,4,7-10,12,17H2,(H,18,19).
What are the key properties of 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide?
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide has a molecular weight of 292.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide is sourced from PubChem (CID 119333559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).