1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea

C14H21N3O4S — CID 125179663

IUPAC1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)17-14(18)16-8-1-2-11-7-9-21-10-11/h3-6,11H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t11-/m1/s1
InChIKeySOUSECYWPNWONV-LLVKDONJSA-N
MW327.41 g/mol
LogP1.27
Rot. Bonds6

About 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea

1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 125179663) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
PubChem CID125179663
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)17-14(18)16-8-1-2-11-7-9-21-10-11/h3-6,11H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t11-/m1/s1
InChIKeySOUSECYWPNWONV-LLVKDONJSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
CID 97453984
N,N-dimethyl-3-[4-[3-(oxolan-3-yl)propylcarbamoylamino]phenyl]propanamide
CID 72919753
N,N-dimethyl-3-[4-[3-[(3R)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
CID 97453983
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
1-[3-(oxolan-3-yl)propyl]-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]urea
CID 118762287
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
7-[(4-sulfamoylphenyl)carbamoylamino]heptanoyl azide
CID 21281464
1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 97088481
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea (CID 125179663) is 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1.
What is the InChIKey of 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is SOUSECYWPNWONV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-22(19,20)13-5-3-12(4-6-13)17-14(18)16-8-1-2-11-7-9-21-10-11/h3-6,11H,1-2,7-10H2,(H2,15,19,20)(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea?
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 327.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 125179663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).