(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate

C27H27N5O6S — CID 11478388

IUPAC(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate
SMILESCOc1ccc(OC(=O)N(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C27H27N5O6S/c1-17-6-5-7-18(2)25(17)32(27(33)38-22-13-10-20(36-3)16-23(22)37-4)24-14-15-29-26(31-24)30-19-8-11-21(12-9-19)39(28,34)35/h5-16H,1-4H3,(H2,28,34,35)(H,29,30,31)
InChIKeyRHGLJXNRUNRAQW-UHFFFAOYSA-N
MW549.61 g/mol
LogP4.84
Rot. Bonds8

About (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate

(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate (PubChem CID 11478388) has the molecular formula C27H27N5O6S and a molecular weight of 549.61 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate
PubChem CID11478388
Molecular FormulaC27H27N5O6S
Molecular Weight549.61 g/mol
Exact Mass549.17
IUPAC Name(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate
SMILESCOc1ccc(OC(=O)N(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C27H27N5O6S/c1-17-6-5-7-18(2)25(17)32(27(33)38-22-13-10-20(36-3)16-23(22)37-4)24-14-15-29-26(31-24)30-19-8-11-21(12-9-19)39(28,34)35/h5-16H,1-4H3,(H2,28,34,35)(H,29,30,31)
InChIKeyRHGLJXNRUNRAQW-UHFFFAOYSA-N
XLogP4.84
TPSA145.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.61
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2,4-dimethoxyphenyl) N-[2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
CID 11786835
(2-methoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]carbamate
CID 11353998
(2-ethoxyphenyl) N-[2-(3-aminoanilino)pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
CID 90931368
[2-[4-(2-piperidin-1-ylethoxy)anilino]pyrimidin-4-yl] N-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)carbamate
CID 90713494
(2,4,6-trimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate
CID 69066257
(2,6-dimethylphenyl) N-[2-[4-[4-(diethylamino)butylcarbamoyl]anilino]pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate
CID 69059580
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
naphthalen-2-yl N-[2-[4-[3-(diethylamino)propoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
CID 11786799
(2,6-dimethylphenyl) N-[2-[3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate
CID 11843159
(2,6-dimethylphenyl) N-(2,5-dimethoxyphenyl)-N-[2-[3-(3-piperidin-1-ylpropoxy)anilino]pyrimidin-4-yl]carbamate
CID 69066797
(2,6-dimethylcyclohexa-1,5-dien-3-yn-1-yl) N-(2,4-dimethoxyphenyl)-N-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]carbamate
CID 146253608
(2,6-dimethylphenyl) N-[2-[3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]-N-(2,5-dimethoxyphenyl)carbamate
CID 69066745

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate?
The IUPAC name of (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate (CID 11478388) is (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate.
What is the SMILES notation for (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate?
The canonical SMILES for (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate is COc1ccc(OC(=O)N(c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2c(C)cccc2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate?
The InChIKey is RHGLJXNRUNRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O6S/c1-17-6-5-7-18(2)25(17)32(27(33)38-22-13-10-20(36-3)16-23(22)37-4)24-14-15-29-26(31-24)30-19-8-11-21(12-9-19)39(28,34)35/h5-16H,1-4H3,(H2,28,34,35)(H,29,30,31).
What are the key properties of (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate?
(2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate has a molecular weight of 549.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl) N-(2,6-dimethylphenyl)-N-[2-(4-sulfamoylanilino)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 11478388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).