1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea

C14H15ClN2O2S — CID 99981751

IUPAC1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
SMILESO=C(NCC[C@H](O)c1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-11-3-1-2-4-12(11)17-14(19)16-7-5-13(18)10-6-8-20-9-10/h1-4,6,8-9,13,18H,5,7H2,(H2,16,17,19)/t13-/m0/s1
InChIKeyBSJRMWBYRZYMIJ-ZDUSSCGKSA-N
MW310.81 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea

1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea (PubChem CID 99981751) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
PubChem CID99981751
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
SMILESO=C(NCC[C@H](O)c1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-11-3-1-2-4-12(11)17-14(19)16-7-5-13(18)10-6-8-20-9-10/h1-4,6,8-9,13,18H,5,7H2,(H2,16,17,19)/t13-/m0/s1
InChIKeyBSJRMWBYRZYMIJ-ZDUSSCGKSA-N
XLogP3.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
(E)-3-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)prop-2-enamide
CID 86264104
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
1-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(2-phenoxyethyl)urea
CID 99981776
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea (CID 99981751) is 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea is O=C(NCC[C@H](O)c1ccsc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
The InChIKey is BSJRMWBYRZYMIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-11-3-1-2-4-12(11)17-14(19)16-7-5-13(18)10-6-8-20-9-10/h1-4,6,8-9,13,18H,5,7H2,(H2,16,17,19)/t13-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea?
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea has a molecular weight of 310.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea is sourced from PubChem (CID 99981751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).