N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C17H20N2O3S2 — CID 5216029

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H20N2O3S2/c1-11-7-8-13(24(21,22)19(2)3)10-14(11)18-17(20)16-9-12-5-4-6-15(12)23-16/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyJZTOCPIIZKBGJJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.05
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 5216029) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID5216029
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H20N2O3S2/c1-11-7-8-13(24(21,22)19(2)3)10-14(11)18-17(20)16-9-12-5-4-6-15(12)23-16/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyJZTOCPIIZKBGJJ-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 26244304
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26521783
(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8838693
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 5097926
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3476722
N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2671075
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
(5R)-N-[4-(dimethylsulfamoyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 26196137
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7948713
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 5216029) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is JZTOCPIIZKBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-7-8-13(24(21,22)19(2)3)10-14(11)18-17(20)16-9-12-5-4-6-15(12)23-16/h7-10H,4-6H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.05, 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 5216029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).