1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea

C18H21N3O4S — CID 110352480

IUPAC1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
SMILESCC1COCCN1S(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O4S/c1-14-13-25-11-10-21(14)26(23,24)17-9-5-8-16(12-17)20-18(22)19-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H2,19,20,22)
InChIKeyFGQBQJRHUBDUJO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.74
Rot. Bonds4

About 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea

1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea (PubChem CID 110352480) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
PubChem CID110352480
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
SMILESCC1COCCN1S(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O4S/c1-14-13-25-11-10-21(14)26(23,24)17-9-5-8-16(12-17)20-18(22)19-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H2,19,20,22)
InChIKeyFGQBQJRHUBDUJO-UHFFFAOYSA-N
XLogP2.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081837
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
CID 93044965
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea?
The IUPAC name of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea (CID 110352480) is 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea is CC1COCCN1S(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea?
The InChIKey is FGQBQJRHUBDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14-13-25-11-10-21(14)26(23,24)17-9-5-8-16(12-17)20-18(22)19-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea?
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea has a molecular weight of 375.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea is sourced from PubChem (CID 110352480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).