2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C23H31N3O3S — CID 11270347

IUPAC2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
InChIKeyNLJSDKXZHNIGBT-JOCHJYFZSA-N
MW429.59 g/mol
LogP2.57
Rot. Bonds9

About 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 11270347) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID11270347
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
InChIKeyNLJSDKXZHNIGBT-JOCHJYFZSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 11270347) is 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is NLJSDKXZHNIGBT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 11270347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).