1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

C17H23N3O3S — CID 30606334

IUPAC1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCOc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc(OC)c1
InChIInChI=1S/C17H23N3O3S/c1-20(2)16(12-5-6-24-11-12)10-18-17(21)19-13-7-14(22-3)9-15(8-13)23-4/h5-9,11,16H,10H2,1-4H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyIOFRWFYMIJOVNQ-INIZCTEOSA-N
MW349.46 g/mol
LogP3.19
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 30606334) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID30606334
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCOc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc(OC)c1
InChIInChI=1S/C17H23N3O3S/c1-20(2)16(12-5-6-24-11-12)10-18-17(21)19-13-7-14(22-3)9-15(8-13)23-4/h5-9,11,16H,10H2,1-4H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyIOFRWFYMIJOVNQ-INIZCTEOSA-N
XLogP3.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606344
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 51953945
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 30606334) is 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is COc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is IOFRWFYMIJOVNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-20(2)16(12-5-6-24-11-12)10-18-17(21)19-13-7-14(22-3)9-15(8-13)23-4/h5-9,11,16H,10H2,1-4H3,(H2,18,19,21)/t16-/m0/s1.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea has a molecular weight of 349.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 30606334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).