4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide

C15H24N4O3S — CID 95134251

IUPAC4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O3S/c1-12(13-4-6-14(7-5-13)23(16,21)22)17-15(20)19-9-3-8-18(2)10-11-19/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m1/s1
InChIKeyYUEIVQIDEGYQAA-GFCCVEGCSA-N
MW340.45 g/mol
LogP0.74
Rot. Bonds3

About 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide

4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide (PubChem CID 95134251) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide
PubChem CID95134251
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O3S/c1-12(13-4-6-14(7-5-13)23(16,21)22)17-15(20)19-9-3-8-18(2)10-11-19/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m1/s1
InChIKeyYUEIVQIDEGYQAA-GFCCVEGCSA-N
XLogP0.74
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide 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

1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
(2R)-2-ethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]morpholine-4-carboxamide
CID 94030007
4-(2,2-difluoroethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]piperazine-1-carboxamide
CID 49122258
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
4-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 97089842
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide (CID 95134251) is 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide is C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is YUEIVQIDEGYQAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12(13-4-6-14(7-5-13)23(16,21)22)17-15(20)19-9-3-8-18(2)10-11-19/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H2,16,21,22)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide?
4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 95134251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).