1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea

C16H24N2O4S — CID 94427132

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
SMILESCC(C)S(=O)(=O)Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)23(20,21)11-13-5-7-14(8-6-13)18-16(19)17-10-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyCSSQHYYDPWQTEO-OAHLLOKOSA-N
MW340.44 g/mol
LogP2.31
Rot. Bonds6

About 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea

1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea (PubChem CID 94427132) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
PubChem CID94427132
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
SMILESCC(C)S(=O)(=O)Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)23(20,21)11-13-5-7-14(8-6-13)18-16(19)17-10-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyCSSQHYYDPWQTEO-OAHLLOKOSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
CID 94666909
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 95135685
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea (CID 94427132) is 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea is CC(C)S(=O)(=O)Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The InChIKey is CSSQHYYDPWQTEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)23(20,21)11-13-5-7-14(8-6-13)18-16(19)17-10-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea has a molecular weight of 340.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea is sourced from PubChem (CID 94427132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).