(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H24N2O4S2 — CID 8838693

IUPAC(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2
InChIInChI=1S/C19H24N2O4S2/c1-12-5-8-17-13(9-12)10-18(26-17)19(22)20-15-11-14(6-7-16(15)25-4)27(23,24)21(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)/t12-/m1/s1
InChIKeySXBACXCIKNSQCD-GFCCVEGCSA-N
MW408.55 g/mol
LogP3.38
Rot. Bonds5

About (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 8838693) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID8838693
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2
InChIInChI=1S/C19H24N2O4S2/c1-12-5-8-17-13(9-12)10-18(26-17)19(22)20-15-11-14(6-7-16(15)25-4)27(23,24)21(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)/t12-/m1/s1
InChIKeySXBACXCIKNSQCD-GFCCVEGCSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(5R)-N-[4-(dimethylsulfamoyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 26196137
N-(2,5-dimethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46797687
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 42908222
N,N-diethyl-4-methoxy-3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46450567
(5R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9470190
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 8838723
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5216029
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 26244304
(5R)-5-methyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9071939
(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7935040
N'-[2-(2,5-dimethoxyphenyl)acetyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 78821997

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 8838693) is (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2.
What is the InChIKey of (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is SXBACXCIKNSQCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-12-5-8-17-13(9-12)10-18(26-17)19(22)20-15-11-14(6-7-16(15)25-4)27(23,24)21(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8838693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).