N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide

C31H36N4O5S — CID 142500041

IUPACN-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3C)ccc2N2N=C(C3CC3)CC2C)c(OC)c1
InChIInChI=1S/C31H36N4O5S/c1-20-7-5-6-8-23(20)16-31(36)33-25-12-14-28(35-21(2)15-27(34-35)22-9-10-22)30(17-25)41(37,38)32-19-24-11-13-26(39-3)18-29(24)40-4/h5-8,11-14,17-18,21-22,32H,9-10,15-16,19H2,1-4H3,(H,33,36)
InChIKeyBDAAWPNTVYWHKD-UHFFFAOYSA-N
MW576.72 g/mol
LogP5.04
Rot. Bonds11

About N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide

N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 142500041) has the molecular formula C31H36N4O5S and a molecular weight of 576.72 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
PubChem CID142500041
Molecular FormulaC31H36N4O5S
Molecular Weight576.72 g/mol
Exact Mass576.24
IUPAC NameN-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3C)ccc2N2N=C(C3CC3)CC2C)c(OC)c1
InChIInChI=1S/C31H36N4O5S/c1-20-7-5-6-8-23(20)16-31(36)33-25-12-14-28(35-21(2)15-27(34-35)22-9-10-22)30(17-25)41(37,38)32-19-24-11-13-26(39-3)18-29(24)40-4/h5-8,11-14,17-18,21-22,32H,9-10,15-16,19H2,1-4H3,(H,33,36)
InChIKeyBDAAWPNTVYWHKD-UHFFFAOYSA-N
XLogP5.04
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 165379987
[2-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-1,3-dihydropyrazol-4-yl] carbamate
CID 175823644
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261
2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 138559668
5-amino-2-(3-cyclopropylpyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 138559512
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylbenzenesulfonamide
CID 175751815
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55364569

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide (CID 142500041) is N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide is COc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3C)ccc2N2N=C(C3CC3)CC2C)c(OC)c1.
What is the InChIKey of N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is BDAAWPNTVYWHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5S/c1-20-7-5-6-8-23(20)16-31(36)33-25-12-14-28(35-21(2)15-27(34-35)22-9-10-22)30(17-25)41(37,38)32-19-24-11-13-26(39-3)18-29(24)40-4/h5-8,11-14,17-18,21-22,32H,9-10,15-16,19H2,1-4H3,(H,33,36).
What are the key properties of N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 576.72 g/mol, XLogP of 5.04, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 142500041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).