N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide

C22H24N4O3S — CID 166288275

IUPACN-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3cnn(C)c3)C3CC3)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(27)24-20-7-3-18(4-8-20)19-5-11-22(12-6-19)30(28,29)26(21-9-10-21)15-17-13-23-25(2)14-17/h3-8,11-14,21H,9-10,15H2,1-2H3,(H,24,27)
InChIKeyBSGGHMKWSXGHAS-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide

N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide (PubChem CID 166288275) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
PubChem CID166288275
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3cnn(C)c3)C3CC3)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(27)24-20-7-3-18(4-8-20)19-5-11-22(12-6-19)30(28,29)26(21-9-10-21)15-17-13-23-25(2)14-17/h3-8,11-14,21H,9-10,15H2,1-2H3,(H,24,27)
InChIKeyBSGGHMKWSXGHAS-UHFFFAOYSA-N
XLogP3.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 47813010
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
N-[4-[4-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166288271
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 171912757
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057750
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide (CID 166288275) is N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3cnn(C)c3)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide?
The InChIKey is BSGGHMKWSXGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16(27)24-20-7-3-18(4-8-20)19-5-11-22(12-6-19)30(28,29)26(21-9-10-21)15-17-13-23-25(2)14-17/h3-8,11-14,21H,9-10,15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide?
N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166288275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).