1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide

C17H17ClN2O3S — CID 71887117

IUPAC1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1CCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-7-14(24-15)17(23)20-9-1-2-13(20)16(22)19-10-11-3-5-12(21)6-4-11/h3-8,13,21H,1-2,9-10H2,(H,19,22)
InChIKeyXEVBFILJZGJIFY-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide

1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 71887117) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID71887117
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)C1CCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-7-14(24-15)17(23)20-9-1-2-13(20)16(22)19-10-11-3-5-12(21)6-4-11/h3-8,13,21H,1-2,9-10H2,(H,19,22)
InChIKeyXEVBFILJZGJIFY-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 118467207
1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 71887112
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508
(2S)-N-[[4-[(4-chlorophenoxy)methyl]phenyl]methyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 118413745
(2S)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24516955
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
1-(3,5-dichlorobenzoyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55840725
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
(2S)-N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 118413784
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
(2S)-1-(3,5-dichlorobenzoyl)-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 95283981
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 71887117) is 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(O)cc1)C1CCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XEVBFILJZGJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-15-8-7-14(24-15)17(23)20-9-1-2-13(20)16(22)19-10-11-3-5-12(21)6-4-11/h3-8,13,21H,1-2,9-10H2,(H,19,22).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71887117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).