N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide

C19H26N2O2S — CID 134057342

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2cccs2)N(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-21(2)18(15-7-4-8-16(13-15)23-3)14-20-19(22)11-5-9-17-10-6-12-24-17/h4,6-8,10,12-13,18H,5,9,11,14H2,1-3H3,(H,20,22)
InChIKeyHGPILUMCFCLXKE-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.50
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 134057342) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID134057342
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2cccs2)N(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-21(2)18(15-7-4-8-16(13-15)23-3)14-20-19(22)11-5-9-17-10-6-12-24-17/h4,6-8,10,12-13,18H,5,9,11,14H2,1-3H3,(H,20,22)
InChIKeyHGPILUMCFCLXKE-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 43005713
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 112764499
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886389
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111674283

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide (CID 134057342) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide is COc1cccc(C(CNC(=O)CCCc2cccs2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is HGPILUMCFCLXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-21(2)18(15-7-4-8-16(13-15)23-3)14-20-19(22)11-5-9-17-10-6-12-24-17/h4,6-8,10,12-13,18H,5,9,11,14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 346.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).