1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea

C15H17ClN2O2S — CID 56826094

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccc(Cl)s1)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-18-15(20)17-9-12(19)8-11-4-2-1-3-5-11/h1-7,12,19H,8-10H2,(H2,17,18,20)
InChIKeyWIWYYHLEFPBXLN-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.80
Rot. Bonds6

About 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea

1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56826094) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56826094
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccc(Cl)s1)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-18-15(20)17-9-12(19)8-11-4-2-1-3-5-11/h1-7,12,19H,8-10H2,(H2,17,18,20)
InChIKeyWIWYYHLEFPBXLN-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea (CID 56826094) is 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCc1ccc(Cl)s1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is WIWYYHLEFPBXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)10-18-15(20)17-9-12(19)8-11-4-2-1-3-5-11/h1-7,12,19H,8-10H2,(H2,17,18,20).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 324.83 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56826094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).