1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

C19H25N3OS — CID 134307029

IUPAC1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C(CNC(=O)NC1CCc2ccccc2C1)c1ccsc1
InChIInChI=1S/C19H25N3OS/c1-22(2)18(16-9-10-24-13-16)12-20-19(23)21-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,9-10,13,17-18H,7-8,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyBFRHKIZEHZJKNK-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.21
Rot. Bonds5

About 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (PubChem CID 134307029) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
PubChem CID134307029
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C(CNC(=O)NC1CCc2ccccc2C1)c1ccsc1
InChIInChI=1S/C19H25N3OS/c1-22(2)18(16-9-10-24-13-16)12-20-19(23)21-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,9-10,13,17-18H,7-8,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyBFRHKIZEHZJKNK-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide
CID 95382922
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307094
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 129432203
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (CID 134307029) is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is CN(C)C(CNC(=O)NC1CCc2ccccc2C1)c1ccsc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The InChIKey is BFRHKIZEHZJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-22(2)18(16-9-10-24-13-16)12-20-19(23)21-17-8-7-14-5-3-4-6-15(14)11-17/h3-6,9-10,13,17-18H,7-8,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea has a molecular weight of 343.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 134307029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).