(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C21H27N3O5S2 — CID 40985026

IUPAC(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C21H27N3O5S2/c1-4-23(5-2)31(27,28)15-10-11-18(29-3)16(14-15)22-20(25)17-8-6-12-24(17)21(26)19-9-7-13-30-19/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyVSMTXWCZVDLGFQ-QGZVFWFLSA-N
MW465.60 g/mol
LogP3.03
Rot. Bonds8

About (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 40985026) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID40985026
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C21H27N3O5S2/c1-4-23(5-2)31(27,28)15-10-11-18(29-3)16(14-15)22-20(25)17-8-6-12-24(17)21(26)19-9-7-13-30-19/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyVSMTXWCZVDLGFQ-QGZVFWFLSA-N
XLogP3.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-cyano-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 49182753
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55883697
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
(2R)-N-(2-methoxy-5-nitrophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397946
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
(2S)-1-(thiophene-2-carbonyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 55940988
(2S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943395
(2S)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55938910

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 40985026) is (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1.
What is the InChIKey of (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VSMTXWCZVDLGFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-4-23(5-2)31(27,28)15-10-11-18(29-3)16(14-15)22-20(25)17-8-6-12-24(17)21(26)19-9-7-13-30-19/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 40985026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).