1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide

C16H20N2OS — CID 170900061

IUPAC1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2ccn(C)c2C)sc2c1CCCC2
InChIInChI=1S/C16H20N2OS/c1-10-12-6-4-5-7-14(12)20-16(10)17-15(19)13-8-9-18(3)11(13)2/h8-9H,4-7H2,1-3H3,(H,17,19)
InChIKeyCONKSANIJJAGTL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.83
Rot. Bonds2

About 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide

1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide (PubChem CID 170900061) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide
PubChem CID170900061
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2ccn(C)c2C)sc2c1CCCC2
InChIInChI=1S/C16H20N2OS/c1-10-12-6-4-5-7-14(12)20-16(10)17-15(19)13-8-9-18(3)11(13)2/h8-9H,4-7H2,1-3H3,(H,17,19)
InChIKeyCONKSANIJJAGTL-UHFFFAOYSA-N
XLogP3.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide with MolForge

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Related Compounds

5-bromo-2-[(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
CID 76900864
(2S)-2-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 119334898
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474791
2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 119803404
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide
CID 119334902
2-[3-[(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186566
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803436
4-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 120563386
2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
methyl N-[2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 7521612

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide (CID 170900061) is 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide is Cc1c(NC(=O)c2ccn(C)c2C)sc2c1CCCC2.
What is the InChIKey of 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide?
The InChIKey is CONKSANIJJAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-12-6-4-5-7-14(12)20-16(10)17-15(19)13-8-9-18(3)11(13)2/h8-9H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide?
1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 170900061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).