3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide

C16H22N2O2S — CID 75369768

IUPAC3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2S/c17-16(20)13-5-3-4-12(10-13)11-21-9-8-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H2,17,20)(H,18,19)
InChIKeyGGQXPBHTSRMNQV-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.47
Rot. Bonds7

About 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide

3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide (PubChem CID 75369768) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide
PubChem CID75369768
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O2S/c17-16(20)13-5-3-4-12(10-13)11-21-9-8-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H2,17,20)(H,18,19)
InChIKeyGGQXPBHTSRMNQV-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4219380
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
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3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
CID 71878718
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
2-[2-(3-carbamoylphenyl)ethylsulfanyl]-N-cyclohexylpyridine-3-carboxamide
CID 24965323
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
3-[[3-(cyclohexanecarbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 119240965

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide?
The IUPAC name of 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide (CID 75369768) is 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide?
The canonical SMILES for 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide is NC(=O)c1cccc(CSCCC(=O)NC2CCCC2)c1.
What is the InChIKey of 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide?
The InChIKey is GGQXPBHTSRMNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-16(20)13-5-3-4-12(10-13)11-21-9-8-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H2,17,20)(H,18,19).
What are the key properties of 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide?
3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide has a molecular weight of 306.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide is sourced from PubChem (CID 75369768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).