N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide

C16H19NO2S — CID 4949779

IUPACN-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(2)9-10-19-14-7-5-13(6-8-14)17-16(18)15-4-3-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyJWYSENGKBZWPTO-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide

N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide (PubChem CID 4949779) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
PubChem CID4949779
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(2)9-10-19-14-7-5-13(6-8-14)17-16(18)15-4-3-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyJWYSENGKBZWPTO-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(2-ethoxyphenyl)-2-(thiophen-2-yl)acetamide
CID 670141
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
N-(4-ethoxyphenyl)-2-[(5-ethyl-2-thienyl)carbonyl]hydrazinecarboxamide
CID 970850
N-(2-Ethoxyphenyl)-4,5-dimethyl-3-thiophenecarboxamide
CID 1245175
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
3-amino-4-(isopropylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2815287

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide (CID 4949779) is N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide is CC(C)CCOc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is JWYSENGKBZWPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(2)9-10-19-14-7-5-13(6-8-14)17-16(18)15-4-3-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide?
N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4949779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).