3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide

C24H26ClN3O4S — CID 69499824

IUPAC3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)ccc1OCCN1CCC(O)C1
InChIInChI=1S/C24H26ClN3O4S/c1-31-21-12-17(6-7-20(21)32-11-10-28-9-8-18(29)14-28)27-24(30)23-19(26)13-22(33-23)15-2-4-16(25)5-3-15/h2-7,12-13,18,29H,8-11,14,26H2,1H3,(H,27,30)
InChIKeyNONNCLWDSYXISZ-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.36
Rot. Bonds8

About 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide

3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 69499824) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide
PubChem CID69499824
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)ccc1OCCN1CCC(O)C1
InChIInChI=1S/C24H26ClN3O4S/c1-31-21-12-17(6-7-20(21)32-11-10-28-9-8-18(29)14-28)27-24(30)23-19(26)13-22(33-23)15-2-4-16(25)5-3-15/h2-7,12-13,18,29H,8-11,14,26H2,1H3,(H,27,30)
InChIKeyNONNCLWDSYXISZ-UHFFFAOYSA-N
XLogP4.36
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-N-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]propoxy]-3-methoxyphenyl]-3-(methylamino)thiophene-2-carboxamide
CID 71201271
(Z)-but-2-enedioic acid;3-chloro-5-(4-chlorophenyl)-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 44528974
5-(4-chlorophenyl)-N-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-3-(methylamino)thiophene-2-carboxamide
CID 71206243
5-(4-chlorophenyl)-3-(2-hydroxyethyl)-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylthiophene-2-carboxamide
CID 91006359
2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-4-chlorobenzamide
CID 66928715
5-(4-chlorophenyl)-N-[3-methoxy-4-[2-(N-methylanilino)ethoxy]phenyl]-3-(methylamino)thiophene-2-carboxamide
CID 71162618
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
tert-butyl 2-[4-[[5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carbonyl]amino]-2-methoxyphenoxy]acetate
CID 71201371
4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide
CID 142949454
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077972

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide (CID 69499824) is 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)ccc1OCCN1CCC(O)C1.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is NONNCLWDSYXISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-31-21-12-17(6-7-20(21)32-11-10-28-9-8-18(29)14-28)27-24(30)23-19(26)13-22(33-23)15-2-4-16(25)5-3-15/h2-7,12-13,18,29H,8-11,14,26H2,1H3,(H,27,30).
What are the key properties of 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide?
3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)-N-[4-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 69499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).