5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide

C16H19NO2S — CID 2741497

IUPAC5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)14-10-9-13(20-14)15(18)17-11-5-7-12(19-4)8-6-11/h5-10H,1-4H3,(H,17,18)
InChIKeyQWEKAMXVKIIYCJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.31
Rot. Bonds3

About 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide

5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 2741497) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID2741497
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)14-10-9-13(20-14)15(18)17-11-5-7-12(19-4)8-6-11/h5-10H,1-4H3,(H,17,18)
InChIKeyQWEKAMXVKIIYCJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6094043
[3-[(5-tert-butylthiophene-2-carbonyl)amino]phenyl] trifluoromethanesulfonate
CID 175097839
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 61075838
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
5-tert-butyl-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)thiophene-2-carboxamide
CID 140896358
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-methoxyphenyl)-2-propan-2-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618813

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide (CID 2741497) is 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(C(C)(C)C)s2)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is QWEKAMXVKIIYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,3)14-10-9-13(20-14)15(18)17-11-5-7-12(19-4)8-6-11/h5-10H,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide?
5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2741497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).