N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C17H18ClN3O5S2 — CID 24669179

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H18ClN3O5S2/c18-14-6-7-16(27-14)28(24,25)21-8-2-5-13(21)17(23)20-11-3-1-4-12(9-11)26-10-15(19)22/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,19,22)(H,20,23)
InChIKeyPAQGLCIKHLYINT-UHFFFAOYSA-N
MW443.93 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 24669179) has the molecular formula C17H18ClN3O5S2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID24669179
Molecular FormulaC17H18ClN3O5S2
Molecular Weight443.93 g/mol
Exact Mass443.04
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H18ClN3O5S2/c18-14-6-7-16(27-14)28(24,25)21-8-2-5-13(21)17(23)20-11-3-1-4-12(9-11)26-10-15(19)22/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,19,22)(H,20,23)
InChIKeyPAQGLCIKHLYINT-UHFFFAOYSA-N
XLogP2.06
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrrolidine-2-carboxamide
CID 16830859
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 25303397
(2R)-N-(1,3-benzothiazol-6-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 29259646
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413690
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 16830913
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 16830844

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 24669179) is N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is NC(=O)COc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PAQGLCIKHLYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S2/c18-14-6-7-16(27-14)28(24,25)21-8-2-5-13(21)17(23)20-11-3-1-4-12(9-11)26-10-15(19)22/h1,3-4,6-7,9,13H,2,5,8,10H2,(H2,19,22)(H,20,23).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24669179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).