1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide

C21H23ClN2O3S — CID 55972909

IUPAC1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C21H23ClN2O3S/c22-17-4-1-3-16(13-17)21(11-2-12-21)20(25)23-14-15-5-9-19(10-6-15)28(26,27)24-18-7-8-18/h1,3-6,9-10,13,18,24H,2,7-8,11-12,14H2,(H,23,25)
InChIKeyJFIFXFBVEMGJNW-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.52
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 55972909) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID55972909
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C21H23ClN2O3S/c22-17-4-1-3-16(13-17)21(11-2-12-21)20(25)23-14-15-5-9-19(10-6-15)28(26,27)24-18-7-8-18/h1,3-6,9-10,13,18,24H,2,7-8,11-12,14H2,(H,23,25)
InChIKeyJFIFXFBVEMGJNW-UHFFFAOYSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55714590
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 55972909) is 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is JFIFXFBVEMGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c22-17-4-1-3-16(13-17)21(11-2-12-21)20(25)23-14-15-5-9-19(10-6-15)28(26,27)24-18-7-8-18/h1,3-6,9-10,13,18,24H,2,7-8,11-12,14H2,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55972909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).