1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C24H31N3O3S — CID 66685227

IUPAC1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NCc1cccc(C2(C(=O)NCC(c3ccccc3)N3CCCC3)CC2)c1
InChIInChI=1S/C24H31N3O3S/c1-31(29,30)26-17-19-8-7-11-21(16-19)24(12-13-24)23(28)25-18-22(27-14-5-6-15-27)20-9-3-2-4-10-20/h2-4,7-11,16,22,26H,5-6,12-15,17-18H2,1H3,(H,25,28)
InChIKeyXRTJOIOBSVSOLC-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.72
Rot. Bonds9

About 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 66685227) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID66685227
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NCc1cccc(C2(C(=O)NCC(c3ccccc3)N3CCCC3)CC2)c1
InChIInChI=1S/C24H31N3O3S/c1-31(29,30)26-17-19-8-7-11-21(16-19)24(12-13-24)23(28)25-18-22(27-14-5-6-15-27)20-9-3-2-4-10-20/h2-4,7-11,16,22,26H,5-6,12-15,17-18H2,1H3,(H,25,28)
InChIKeyXRTJOIOBSVSOLC-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
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1-[4-(methanesulfonamidomethyl)phenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56644810
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60607590
1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
CID 39984612
1-[3-(methylsulfonylmethyl)phenyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60603381
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326028
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684950

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 66685227) is 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is CS(=O)(=O)NCc1cccc(C2(C(=O)NCC(c3ccccc3)N3CCCC3)CC2)c1.
What is the InChIKey of 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is XRTJOIOBSVSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-31(29,30)26-17-19-8-7-11-21(16-19)24(12-13-24)23(28)25-18-22(27-14-5-6-15-27)20-9-3-2-4-10-20/h2-4,7-11,16,22,26H,5-6,12-15,17-18H2,1H3,(H,25,28).
What are the key properties of 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66685227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).