N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C17H21N3O3S2 — CID 119466003

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1
InChIInChI=1S/C17H21N3O3S2/c18-8-9-19-25(22,23)14-6-3-5-13(11-14)20-17(21)16-10-12-4-1-2-7-15(12)24-16/h3,5-6,10-11,19H,1-2,4,7-9,18H2,(H,20,21)
InChIKeyCBTRMBMPMPVJIP-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.12
Rot. Bonds6

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 119466003) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID119466003
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1
InChIInChI=1S/C17H21N3O3S2/c18-8-9-19-25(22,23)14-6-3-5-13(11-14)20-17(21)16-10-12-4-1-2-7-15(12)24-16/h3,5-6,10-11,19H,1-2,4,7-9,18H2,(H,20,21)
InChIKeyCBTRMBMPMPVJIP-UHFFFAOYSA-N
XLogP2.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-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

N-(3-methylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 9071791
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926236
N-(3-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7959040
N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 31520701
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
N-(3-formylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 106912608
N-[3-(cyclopropylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 26993790
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 16608865
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
N-[2-(2-aminoethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 120604384
N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 32626824
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 119466003) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is NCCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is CBTRMBMPMPVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-8-9-19-25(22,23)14-6-3-5-13(11-14)20-17(21)16-10-12-4-1-2-7-15(12)24-16/h3,5-6,10-11,19H,1-2,4,7-9,18H2,(H,20,21).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119466003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).