1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea

C25H25N5O4S — CID 135223126

IUPAC1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2cn[nH]c2)cc1
InChIInChI=1S/C25H25N5O4S/c1-34-22-13-7-18(8-14-22)15-24(19-16-26-27-17-19)29-25(31)28-20-9-11-21(12-10-20)30-35(32,33)23-5-3-2-4-6-23/h2-14,16-17,24,30H,15H2,1H3,(H,26,27)(H2,28,29,31)
InChIKeyAIMYUOKIXDPXQT-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.32
Rot. Bonds9

About 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea

1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea (PubChem CID 135223126) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea
PubChem CID135223126
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2cn[nH]c2)cc1
InChIInChI=1S/C25H25N5O4S/c1-34-22-13-7-18(8-14-22)15-24(19-16-26-27-17-19)29-25(31)28-20-9-11-21(12-10-20)30-35(32,33)23-5-3-2-4-6-23/h2-14,16-17,24,30H,15H2,1H3,(H,26,27)(H2,28,29,31)
InChIKeyAIMYUOKIXDPXQT-UHFFFAOYSA-N
XLogP4.32
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(4-methoxyphenyl)-3-[2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]urea
CID 171138998
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-[(1R)-2-phenyl-1-[3-(4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 146549552
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
CID 142973965
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea (CID 135223126) is 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea is COc1ccc(CC(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is AIMYUOKIXDPXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-34-22-13-7-18(8-14-22)15-24(19-16-26-27-17-19)29-25(31)28-20-9-11-21(12-10-20)30-35(32,33)23-5-3-2-4-6-23/h2-14,16-17,24,30H,15H2,1H3,(H,26,27)(H2,28,29,31).
What are the key properties of 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea?
1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 491.57 g/mol, XLogP of 4.32, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 135223126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).