3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea

C17H15ClN2OS2 — CID 1163207

IUPAC3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H15ClN2OS2/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-12H2,(H,19,21)
InChIKeyJKEFAFNHHRVWMR-UHFFFAOYSA-N
MW362.91 g/mol
LogP5.70
Rot. Bonds5

About 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea

3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea (PubChem CID 1163207) has the molecular formula C17H15ClN2OS2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea
PubChem CID1163207
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H15ClN2OS2/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-12H2,(H,19,21)
InChIKeyJKEFAFNHHRVWMR-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.91
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2059105
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl-N-(2-thienylmethyl)urea
CID 2958227
N-(2-chlorophenyl)-N'-thien-2-ylurea
CID 3238296
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
3-(4-Chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 4257356
1-(3,4-Dichlorophenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-YL)ethyl]urea
CID 4571219
N'-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 5073031
N-(2,5-dichlorophenyl)-N'-(2-thienylmethyl)urea
CID 6469164

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea (CID 1163207) is 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea?
The InChIKey is JKEFAFNHHRVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1-10H,11-12H2,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea?
3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea has a molecular weight of 362.91 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 1163207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).