2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide

C24H27N3O3S — CID 86597114

IUPAC2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)sc2N)ccc1OCCN1CCCC1
InChIInChI=1S/C24H27N3O3S/c1-29-21-15-18(9-10-20(21)30-14-13-27-11-5-6-12-27)26-24(28)19-16-22(31-23(19)25)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14,25H2,1H3,(H,26,28)
InChIKeyLKJCMVAHYWIYGO-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.73
Rot. Bonds8

About 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide

2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide (PubChem CID 86597114) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
PubChem CID86597114
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)sc2N)ccc1OCCN1CCCC1
InChIInChI=1S/C24H27N3O3S/c1-29-21-15-18(9-10-20(21)30-14-13-27-11-5-6-12-27)26-24(28)19-16-22(31-23(19)25)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14,25H2,1H3,(H,26,28)
InChIKeyLKJCMVAHYWIYGO-UHFFFAOYSA-N
XLogP4.73
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
(Z)-but-2-enedioic acid;3-chloro-5-(4-chlorophenyl)-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 44528974
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
5-(4-chlorophenyl)-N-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-3-(methylamino)thiophene-2-carboxamide
CID 71206243
N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
CID 44535104
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
CID 122218723
3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide
CID 69499824
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
5-(4-chlorophenyl)-3-(2-hydroxyethyl)-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylthiophene-2-carboxamide
CID 91006359
6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one;3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 162211527
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide (CID 86597114) is 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide is COc1cc(NC(=O)c2cc(-c3ccccc3)sc2N)ccc1OCCN1CCCC1.
What is the InChIKey of 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide?
The InChIKey is LKJCMVAHYWIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-29-21-15-18(9-10-20(21)30-14-13-27-11-5-6-12-27)26-24(28)19-16-22(31-23(19)25)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14,25H2,1H3,(H,26,28).
What are the key properties of 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide?
2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 86597114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).