4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide

C14H16N2O3S2 — CID 106014991

IUPAC4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C14H16N2O3S2/c15-7-10-5-14(20-9-10)21(17,18)16-8-12-6-11-3-1-2-4-13(11)19-12/h1-5,9,12,16H,6-8,15H2
InChIKeyMQQIGZDCHKTNMZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.49
Rot. Bonds5

About 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106014991) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106014991
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCC2Cc3ccccc3O2)c1
InChIInChI=1S/C14H16N2O3S2/c15-7-10-5-14(20-9-10)21(17,18)16-8-12-6-11-3-1-2-4-13(11)19-12/h1-5,9,12,16H,6-8,15H2
InChIKeyMQQIGZDCHKTNMZ-UHFFFAOYSA-N
XLogP1.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide 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-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 34143143
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55627727
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045608
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
CID 63978130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 55627703
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide (CID 106014991) is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)NCC2Cc3ccccc3O2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is MQQIGZDCHKTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c15-7-10-5-14(20-9-10)21(17,18)16-8-12-6-11-3-1-2-4-13(11)19-12/h1-5,9,12,16H,6-8,15H2.
What are the key properties of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106014991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).