1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C17H22ClN3O2S — CID 51944839

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C17H22ClN3O2S/c1-11-8-13(15(23-4)9-12(11)18)20-17(22)19-10-14(21(2)3)16-6-5-7-24-16/h5-9,14H,10H2,1-4H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyTWSVGDAGKXUJQG-CQSZACIVSA-N
MW367.90 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 51944839) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID51944839
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C17H22ClN3O2S/c1-11-8-13(15(23-4)9-12(11)18)20-17(22)19-10-14(21(2)3)16-6-5-7-24-16/h5-9,14H,10H2,1-4H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyTWSVGDAGKXUJQG-CQSZACIVSA-N
XLogP4.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944837
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
1-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51115354
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51945229
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 51944839) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](c1cccs1)N(C)C.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is TWSVGDAGKXUJQG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-11-8-13(15(23-4)9-12(11)18)20-17(22)19-10-14(21(2)3)16-6-5-7-24-16/h5-9,14H,10H2,1-4H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 367.90 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 51944839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).