1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea

C18H22ClN3O2S — CID 7111013

IUPAC1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-6-4-14(19)5-7-15)17(16-3-2-12-25-16)22-8-10-24-11-9-22/h2-7,12-13,17H,8-11H2,1H3,(H2,20,21,23)/t13-,17+/m1/s1
InChIKeyRXORUYSBLFGGNO-DYVFJYSZSA-N
MW379.91 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea

1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 7111013) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID7111013
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-6-4-14(19)5-7-15)17(16-3-2-12-25-16)22-8-10-24-11-9-22/h2-7,12-13,17H,8-11H2,1H3,(H2,20,21,23)/t13-,17+/m1/s1
InChIKeyRXORUYSBLFGGNO-DYVFJYSZSA-N
XLogP3.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111012
2,2-dimethyl-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110530
1-(4-bromophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 30889189
N-[(2-chlorophenyl)methyl]-N'-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 7110520
N-[(2-chlorophenyl)methyl]-N'-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)oxamide
CID 16806516
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
2-methoxy-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 3238588
1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea
CID 16806647

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea (CID 7111013) is 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea is C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is RXORUYSBLFGGNO-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-6-4-14(19)5-7-15)17(16-3-2-12-25-16)22-8-10-24-11-9-22/h2-7,12-13,17H,8-11H2,1H3,(H2,20,21,23)/t13-,17+/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea?
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 379.91 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 7111013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).