1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea

C13H19N3O4S — CID 108875185

IUPAC1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H19N3O4S/c1-21(18,19)16-11-6-4-10(5-7-11)15-13(17)14-9-12-3-2-8-20-12/h4-7,12,16H,2-3,8-9H2,1H3,(H2,14,15,17)
InChIKeyIUIZXKFRWYUCBR-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 108875185) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID108875185
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H19N3O4S/c1-21(18,19)16-11-6-4-10(5-7-11)15-13(17)14-9-12-3-2-8-20-12/h4-7,12,16H,2-3,8-9H2,1H3,(H2,14,15,17)
InChIKeyIUIZXKFRWYUCBR-UHFFFAOYSA-N
XLogP1.36
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 108875185) is 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea is CS(=O)(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is IUIZXKFRWYUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-21(18,19)16-11-6-4-10(5-7-11)15-13(17)14-9-12-3-2-8-20-12/h4-7,12,16H,2-3,8-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 313.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 108875185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).