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

C17H23N3O3S — CID 30521007

IUPAC1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCOc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1OC
InChIInChI=1S/C17H23N3O3S/c1-20(2)14(12-8-9-24-11-12)10-18-17(21)19-13-6-5-7-15(22-3)16(13)23-4/h5-9,11,14H,10H2,1-4H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyYEDDUOFEJVBADG-CQSZACIVSA-N
MW349.46 g/mol
LogP3.19
Rot. Bonds7

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

1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 30521007) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID30521007
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCOc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1OC
InChIInChI=1S/C17H23N3O3S/c1-20(2)14(12-8-9-24-11-12)10-18-17(21)19-13-6-5-7-15(22-3)16(13)23-4/h5-9,11,14H,10H2,1-4H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyYEDDUOFEJVBADG-CQSZACIVSA-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

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 94021429
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 30521007) is 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is COc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is YEDDUOFEJVBADG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-20(2)14(12-8-9-24-11-12)10-18-17(21)19-13-6-5-7-15(22-3)16(13)23-4/h5-9,11,14H,10H2,1-4H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(2,3-dimethoxyphenyl)-3-[(2S)-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-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 30521007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).