2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 99130880

IUPAC2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-20(17-9-5-4-6-10-17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-8-14-23/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyFYESZOFZBOYPSG-FQEVSTJZSA-N
MW386.52 g/mol
LogP3.66
Rot. Bonds6

About 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 99130880) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID99130880
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-3-20(17-9-5-4-6-10-17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-8-14-23/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyFYESZOFZBOYPSG-FQEVSTJZSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 94012354
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
CID 92672265
2-methyl-N-[1-(4-methylphenyl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875457
2-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30397953
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191404
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 25468462
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 99130880) is 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide is CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is FYESZOFZBOYPSG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-20(17-9-5-4-6-10-17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-8-14-23/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 99130880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).