N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide

C17H27N3O3S — CID 47076520

IUPACN-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1cccc(NS(C)(=O)=O)c1)N1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)16(20-9-4-5-10-20)17(21)18-12-14-7-6-8-15(11-14)19-24(3,22)23/h6-8,11,13,16,19H,4-5,9-10,12H2,1-3H3,(H,18,21)
InChIKeyZFOCYGJAXRNURL-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.79
Rot. Bonds7

About N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide

N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide (PubChem CID 47076520) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
PubChem CID47076520
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1cccc(NS(C)(=O)=O)c1)N1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)16(20-9-4-5-10-20)17(21)18-12-14-7-6-8-15(11-14)19-24(3,22)23/h6-8,11,13,16,19H,4-5,9-10,12H2,1-3H3,(H,18,21)
InChIKeyZFOCYGJAXRNURL-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
CID 41465627
(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 52506578
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
tert-butyl 2-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 46404764
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 41465212

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide (CID 47076520) is N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide is CC(C)C(C(=O)NCc1cccc(NS(C)(=O)=O)c1)N1CCCC1.
What is the InChIKey of N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The InChIKey is ZFOCYGJAXRNURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)16(20-9-4-5-10-20)17(21)18-12-14-7-6-8-15(11-14)19-24(3,22)23/h6-8,11,13,16,19H,4-5,9-10,12H2,1-3H3,(H,18,21).
What are the key properties of N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide has a molecular weight of 353.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 47076520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).