5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide

C19H32N2O2S — CID 55476829

IUPAC5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C19H32N2O2S/c1-12(2)9-8-10-14(4)20-17(22)16-13(3)11-15(24-16)21-18(23)19(5,6)7/h11-12,14H,8-10H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyFQDHGONZWWXWPC-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.99
Rot. Bonds7

About 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide (PubChem CID 55476829) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
PubChem CID55476829
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C19H32N2O2S/c1-12(2)9-8-10-14(4)20-17(22)16-13(3)11-15(24-16)21-18(23)19(5,6)7/h11-12,14H,8-10H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyFQDHGONZWWXWPC-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 39976085
N-Cyclohexyl-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014818
5-amino-3-methyl-2-N-phenyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 84244034
2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
CID 134149438
2-(butanoylamino)-N-butyl-5-phenylthiophene-3-carboxamide
CID 134150456
N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
5-acetamido-N-[(2,4-difluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 40145204
5-acetamido-N-[(3-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 41374052
N~2~-cycloheptyl-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53014820
N-butyl-2-(octanoylamino)-5-phenylthiophene-3-carboxamide
CID 134141953
2-amino-N-butyl-5-(6-methylhept-5-en-2-yl)thiophene-3-carboxamide
CID 134144589
2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
CID 156022784

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide (CID 55476829) is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The InChIKey is FQDHGONZWWXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-12(2)9-8-10-14(4)20-17(22)16-13(3)11-15(24-16)21-18(23)19(5,6)7/h11-12,14H,8-10H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide has a molecular weight of 352.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55476829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).