3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide

C20H21ClN2O2S — CID 26993661

IUPAC3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCCSc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21ClN2O2S/c21-15-6-10-18(11-7-15)26-12-2-5-19(24)22-17-4-1-3-14(13-17)20(25)23-16-8-9-16/h1,3-4,6-7,10-11,13,16H,2,5,8-9,12H2,(H,22,24)(H,23,25)
InChIKeyWQIXQTVJULNJRS-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.74
Rot. Bonds8

About 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide

3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide (PubChem CID 26993661) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
PubChem CID26993661
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCCSc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21ClN2O2S/c21-15-6-10-18(11-7-15)26-12-2-5-19(24)22-17-4-1-3-14(13-17)20(25)23-16-8-9-16/h1,3-4,6-7,10-11,13,16H,2,5,8-9,12H2,(H,22,24)(H,23,25)
InChIKeyWQIXQTVJULNJRS-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.74
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

N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 25497237
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide (CID 26993661) is 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide is O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide?
The InChIKey is WQIXQTVJULNJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-15-6-10-18(11-7-15)26-12-2-5-19(24)22-17-4-1-3-14(13-17)20(25)23-16-8-9-16/h1,3-4,6-7,10-11,13,16H,2,5,8-9,12H2,(H,22,24)(H,23,25).
What are the key properties of 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide?
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide has a molecular weight of 388.92 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 26993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).