N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide

C21H27N3O4S — CID 97246583

IUPACN-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(26)22-19-7-9-20(10-8-19)29(27,28)23-21-14-24(12-11-18(21)15-25)13-17-5-3-2-4-6-17/h2-10,18,21,23,25H,11-15H2,1H3,(H,22,26)/t18-,21+/m1/s1
InChIKeyURFRLAIKXQKQPL-NQIIRXRSSA-N
MW417.53 g/mol
LogP1.81
Rot. Bonds7

About N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 97246583) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID97246583
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(26)22-19-7-9-20(10-8-19)29(27,28)23-21-14-24(12-11-18(21)15-25)13-17-5-3-2-4-6-17/h2-10,18,21,23,25H,11-15H2,1H3,(H,22,26)/t18-,21+/m1/s1
InChIKeyURFRLAIKXQKQPL-NQIIRXRSSA-N
XLogP1.81
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
CID 98853722
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
CID 125138738
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide (CID 97246583) is N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is URFRLAIKXQKQPL-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(26)22-19-7-9-20(10-8-19)29(27,28)23-21-14-24(12-11-18(21)15-25)13-17-5-3-2-4-6-17/h2-10,18,21,23,25H,11-15H2,1H3,(H,22,26)/t18-,21+/m1/s1.
What are the key properties of N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 97246583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).