4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide

C19H24N2O3S2 — CID 50777606

IUPAC4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C19H24N2O3S2/c1-20(14-16-9-5-4-6-10-16)26(23,24)18-13-17(15-25-18)19(22)21-11-7-2-3-8-12-21/h4-6,9-10,13,15H,2-3,7-8,11-12,14H2,1H3
InChIKeyGPAATFJTUYWVKC-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.59
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide

4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide (PubChem CID 50777606) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
PubChem CID50777606
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C19H24N2O3S2/c1-20(14-16-9-5-4-6-10-16)26(23,24)18-13-17(15-25-18)19(22)21-11-7-2-3-8-12-21/h4-6,9-10,13,15H,2-3,7-8,11-12,14H2,1H3
InChIKeyGPAATFJTUYWVKC-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
5-[(3-hydroxyphenyl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid
CID 60951080
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 60681316
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777620

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide (CID 50777606) is 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide?
The InChIKey is GPAATFJTUYWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-20(14-16-9-5-4-6-10-16)26(23,24)18-13-17(15-25-18)19(22)21-11-7-2-3-8-12-21/h4-6,9-10,13,15H,2-3,7-8,11-12,14H2,1H3.
What are the key properties of 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide?
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide has a molecular weight of 392.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 50777606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).