N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C20H26N2O3S2 — CID 26244304

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C20H26N2O3S2/c1-14-10-11-16(27(24,25)22(2)3)13-17(14)21-20(23)19-12-15-8-6-4-5-7-9-18(15)26-19/h10-13H,4-9H2,1-3H3,(H,21,23)
InChIKeyRGTHEWOLBOKXQQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.22
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 26244304) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID26244304
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C20H26N2O3S2/c1-14-10-11-16(27(24,25)22(2)3)13-17(14)21-20(23)19-12-15-8-6-4-5-7-9-18(15)26-19/h10-13H,4-9H2,1-3H3,(H,21,23)
InChIKeyRGTHEWOLBOKXQQ-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5216029
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26521783
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 5097926
N-(3-hydroxy-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64794010
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2671075
(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8838693
N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7948713
N-(4-methyl-1H-pyrazol-5-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 115629881
N-(3-methylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 9071791
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 26244304) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is RGTHEWOLBOKXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-14-10-11-16(27(24,25)22(2)3)13-17(14)21-20(23)19-12-15-8-6-4-5-7-9-18(15)26-19/h10-13H,4-9H2,1-3H3,(H,21,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 26244304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).