N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide

C24H31N3O5S — CID 43070773

IUPACN-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)C(C)C)cc1C
InChIInChI=1S/C24H31N3O5S/c1-15(2)22(27-33(30,31)20-12-7-16(3)17(4)14-20)24(29)26-19-10-8-18(9-11-19)25-23(28)21-6-5-13-32-21/h7-12,14-15,21-22,27H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyRWUVQTJSXTYSEI-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.36
Rot. Bonds8

About N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide

N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 43070773) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID43070773
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)C(C)C)cc1C
InChIInChI=1S/C24H31N3O5S/c1-15(2)22(27-33(30,31)20-12-7-16(3)17(4)14-20)24(29)26-19-10-8-18(9-11-19)25-23(28)21-6-5-13-32-21/h7-12,14-15,21-22,27H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyRWUVQTJSXTYSEI-UHFFFAOYSA-N
XLogP3.36
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155135
N-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 60531642
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
CID 24658670
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 30478931
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
(2S)-N-(4-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 41295496
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide (CID 43070773) is N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide is Cc1ccc(S(=O)(=O)NC(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)C(C)C)cc1C.
What is the InChIKey of N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is RWUVQTJSXTYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-15(2)22(27-33(30,31)20-12-7-16(3)17(4)14-20)24(29)26-19-10-8-18(9-11-19)25-23(28)21-6-5-13-32-21/h7-12,14-15,21-22,27H,5-6,13H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide?
N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43070773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).