1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea

C30H30N4O8S2 — CID 19966637

IUPAC1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1cc(-c2ccc(NC(=O)NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H30N4O8S2/c1-19-5-11-23(12-6-19)43(37,38)33-29(35)31-25-15-9-21(17-27(25)41-3)22-10-16-26(28(18-22)42-4)32-30(36)34-44(39,40)24-13-7-20(2)8-14-24/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36)
InChIKeyKTYCYJUVQQKSEU-UHFFFAOYSA-N
MW638.72 g/mol
LogP5.01
Rot. Bonds9

About 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea

1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 19966637) has the molecular formula C30H30N4O8S2 and a molecular weight of 638.72 g/mol. Its IUPAC name is 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID19966637
Molecular FormulaC30H30N4O8S2
Molecular Weight638.72 g/mol
Exact Mass638.15
IUPAC Name1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1cc(-c2ccc(NC(=O)NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H30N4O8S2/c1-19-5-11-23(12-6-19)43(37,38)33-29(35)31-25-15-9-21(17-27(25)41-3)22-10-16-26(28(18-22)42-4)32-30(36)34-44(39,40)24-13-7-20(2)8-14-24/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36)
InChIKeyKTYCYJUVQQKSEU-UHFFFAOYSA-N
XLogP5.01
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.72
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea with MolForge

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Related Compounds

1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
1-(2-methyl-4-nitrophenyl)-3-(4-methylphenyl)sulfonylurea
CID 4630166
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-methylphenyl)sulfonyl-3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 4667743

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea (CID 19966637) is 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea is COc1cc(-c2ccc(NC(=O)NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is KTYCYJUVQQKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O8S2/c1-19-5-11-23(12-6-19)43(37,38)33-29(35)31-25-15-9-21(17-27(25)41-3)22-10-16-26(28(18-22)42-4)32-30(36)34-44(39,40)24-13-7-20(2)8-14-24/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36).
What are the key properties of 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 638.72 g/mol, XLogP of 5.01, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 19966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).