1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea

C19H25N3O3S — CID 86987903

IUPAC1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)21-26(24,25)18-11-9-17(10-12-18)20-19(23)22(4)13-16-8-6-5-7-15(16)3/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyCOBJSVPLOIZIBM-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.35
Rot. Bonds6

About 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea

1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea (PubChem CID 86987903) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
PubChem CID86987903
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)21-26(24,25)18-11-9-17(10-12-18)20-19(23)22(4)13-16-8-6-5-7-15(16)3/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyCOBJSVPLOIZIBM-UHFFFAOYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
2-methyl-3-[methyl-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122074743
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
2-naphthalen-1-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1243916
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The IUPAC name of 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea (CID 86987903) is 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea is Cc1ccccc1CN(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
The InChIKey is COBJSVPLOIZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)21-26(24,25)18-11-9-17(10-12-18)20-19(23)22(4)13-16-8-6-5-7-15(16)3/h5-12,14,21H,13H2,1-4H3,(H,20,23).
What are the key properties of 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea?
1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea has a molecular weight of 375.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea is sourced from PubChem (CID 86987903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).