methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate

C14H16N4O4S — CID 4586210

IUPACmethyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C14H16N4O4S/c1-9-8-13(16-10(2)15-9)18-23(20,21)12-6-4-11(5-7-12)17-14(19)22-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyKDLWVJFFGNQLSB-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.07
Rot. Bonds4

About methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate

methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate (PubChem CID 4586210) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
PubChem CID4586210
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Namemethyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C14H16N4O4S/c1-9-8-13(16-10(2)15-9)18-23(20,21)12-6-4-11(5-7-12)17-14(19)22-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyKDLWVJFFGNQLSB-UHFFFAOYSA-N
XLogP2.07
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 2206745
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 987078
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
(2S)-2-(3,5-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 1307305
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 19203957
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate (CID 4586210) is methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is KDLWVJFFGNQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-9-8-13(16-10(2)15-9)18-23(20,21)12-6-4-11(5-7-12)17-14(19)22-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 336.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 4586210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).