N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

C19H25NO4S — CID 46082797

IUPACN-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCC(C)C)s2)c(OC)c1OC
InChIInChI=1S/C19H25NO4S/c1-12(2)10-11-20-19(21)16-9-8-15(25-16)13-6-7-14(22-3)18(24-5)17(13)23-4/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyBNLJOLUJBWTTMG-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.22
Rot. Bonds8

About N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 46082797) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
PubChem CID46082797
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCC(C)C)s2)c(OC)c1OC
InChIInChI=1S/C19H25NO4S/c1-12(2)10-11-20-19(21)16-9-8-15(25-16)13-6-7-14(22-3)18(24-5)17(13)23-4/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyBNLJOLUJBWTTMG-UHFFFAOYSA-N
XLogP4.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylheptan-2-yl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46083057
N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 92769174
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46082935
3-[5-(3-methylbutylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 54971190
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
5-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)thiophene-2-carboxamide
CID 20940391
2-methyl-1-(3-methylbutyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110977133
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
CID 21046911

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (CID 46082797) is N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCCC(C)C)s2)c(OC)c1OC.
What is the InChIKey of N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is BNLJOLUJBWTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-12(2)10-11-20-19(21)16-9-8-15(25-16)13-6-7-14(22-3)18(24-5)17(13)23-4/h6-9,12H,10-11H2,1-5H3,(H,20,21).
What are the key properties of N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).