1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea

C20H27N3O3S — CID 55521125

IUPAC1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-13-11-15(20(3,4)5)12-14(2)18(13)27(25,26)23-17-9-7-16(8-10-17)22-19(24)21-6/h7-12,23H,1-6H3,(H2,21,22,24)
InChIKeyRFPXXACELBBDAC-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea

1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 55521125) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID55521125
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-13-11-15(20(3,4)5)12-14(2)18(13)27(25,26)23-17-9-7-16(8-10-17)22-19(24)21-6/h7-12,23H,1-6H3,(H2,21,22,24)
InChIKeyRFPXXACELBBDAC-UHFFFAOYSA-N
XLogP4.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
CID 61275594
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 134040533
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
N-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]phenyl]acetamide
CID 137483088
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90101637
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea (CID 55521125) is 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1.
What is the InChIKey of 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is RFPXXACELBBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-11-15(20(3,4)5)12-14(2)18(13)27(25,26)23-17-9-7-16(8-10-17)22-19(24)21-6/h7-12,23H,1-6H3,(H2,21,22,24).
What are the key properties of 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea?
1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 389.52 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 55521125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).