1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea

C14H15ClN2O2S — CID 95983552

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1cccs1
InChIInChI=1S/C14H15ClN2O2S/c15-11-5-3-10(4-6-11)8-16-14(19)17-9-12(18)13-2-1-7-20-13/h1-7,12,18H,8-9H2,(H2,16,17,19)/t12-/m0/s1
InChIKeyUKEUVVVNJLADHX-LBPRGKRZSA-N
MW310.81 g/mol
LogP2.93
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea

1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea (PubChem CID 95983552) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
PubChem CID95983552
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1cccs1
InChIInChI=1S/C14H15ClN2O2S/c15-11-5-3-10(4-6-11)8-16-14(19)17-9-12(18)13-2-1-7-20-13/h1-7,12,18H,8-9H2,(H2,16,17,19)/t12-/m0/s1
InChIKeyUKEUVVVNJLADHX-LBPRGKRZSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2,2-dithiophen-2-ylethyl)urea
CID 119099264
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea (CID 95983552) is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea is O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1cccs1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The InChIKey is UKEUVVVNJLADHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-11-5-3-10(4-6-11)8-16-14(19)17-9-12(18)13-2-1-7-20-13/h1-7,12,18H,8-9H2,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea has a molecular weight of 310.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 95983552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).