1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea

C17H23N3O2S — CID 36870224

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C17H23N3O2S/c1-20(2)14(16-9-6-10-23-16)12-19-17(21)18-11-13-7-4-5-8-15(13)22-3/h4-10,14H,11-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyIZWNGZANRSPJHF-CQSZACIVSA-N
MW333.46 g/mol
LogP2.86
Rot. Bonds7

About 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea

1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 36870224) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID36870224
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C17H23N3O2S/c1-20(2)14(16-9-6-10-23-16)12-19-17(21)18-11-13-7-4-5-8-15(13)22-3/h4-10,14H,11-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyIZWNGZANRSPJHF-CQSZACIVSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51291088
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944837
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944839
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylguanidine
CID 111866430
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea (CID 36870224) is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NC[C@H](c1cccs1)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is IZWNGZANRSPJHF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-20(2)14(16-9-6-10-23-16)12-19-17(21)18-11-13-7-4-5-8-15(13)22-3/h4-10,14H,11-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 36870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).