N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C18H27N3O5S — CID 55883697

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C18H27N3O5S/c1-12(2)18(23)21-10-6-7-15(21)17(22)19-14-11-13(8-9-16(14)26-5)27(24,25)20(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyCRPWCYAYDREGKM-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.53
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 55883697) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID55883697
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN1C(=O)C(C)C
InChIInChI=1S/C18H27N3O5S/c1-12(2)18(23)21-10-6-7-15(21)17(22)19-14-11-13(8-9-16(14)26-5)27(24,25)20(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyCRPWCYAYDREGKM-UHFFFAOYSA-N
XLogP1.53
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40985026
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
methyl (2S)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 52522731
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
1-(2-methylpropanoyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55875608
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55374539
(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55944114
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30747930
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206
1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42935531

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 55883697) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCN1C(=O)C(C)C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is CRPWCYAYDREGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-12(2)18(23)21-10-6-7-15(21)17(22)19-14-11-13(8-9-16(14)26-5)27(24,25)20(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3,(H,19,22).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55883697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).