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

C14H21N3O4S — CID 95135685

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)10-12-5-3-11(4-6-12)8-16-14(18)17-9-13-2-1-7-21-13/h3-6,13H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t13-/m1/s1
InChIKeySPFTWYWTRBZQHC-CYBMUJFWSA-N
MW327.41 g/mol
LogP0.45
Rot. Bonds6

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

1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea (PubChem CID 95135685) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
PubChem CID95135685
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)10-12-5-3-11(4-6-12)8-16-14(18)17-9-13-2-1-7-21-13/h3-6,13H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t13-/m1/s1
InChIKeySPFTWYWTRBZQHC-CYBMUJFWSA-N
XLogP0.45
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 108902262
1-(oxolan-2-ylmethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 2954154
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953
1-[[(2S)-oxolan-2-yl]methyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94148919
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
1-[(3-bromothiophen-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95310612
2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
CID 95158538
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
4-[(oxolan-2-ylmethylcarbamothioylamino)methyl]benzoic acid
CID 2955391
4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoic acid
CID 970287

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea (CID 95135685) is 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea is NS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is SPFTWYWTRBZQHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-22(19,20)10-12-5-3-11(4-6-12)8-16-14(18)17-9-13-2-1-7-21-13/h3-6,13H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 327.41 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 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-(sulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 95135685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).