1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

C15H18ClN3OS — CID 51896387

IUPAC1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)14(11-7-8-21-10-11)9-17-15(20)18-13-6-4-3-5-12(13)16/h3-8,10,14H,9H2,1-2H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyFLHVTJCDPBKREQ-CQSZACIVSA-N
MW323.85 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 51896387) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID51896387
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)14(11-7-8-21-10-11)9-17-15(20)18-13-6-4-3-5-12(13)16/h3-8,10,14H,9H2,1-2H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyFLHVTJCDPBKREQ-CQSZACIVSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
2-(2,4-dichlorophenyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32631221
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 51896387) is 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is CN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is FLHVTJCDPBKREQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19(2)14(11-7-8-21-10-11)9-17-15(20)18-13-6-4-3-5-12(13)16/h3-8,10,14H,9H2,1-2H3,(H2,17,18,20)/t14-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea has a molecular weight of 323.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 51896387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).