N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

C20H28N2O4S — CID 110304317

IUPACN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cc(C(CNC(=O)CCc2cccs2)N(C)C)cc(OC)c1OC
InChIInChI=1S/C20H28N2O4S/c1-22(2)16(13-21-19(23)9-8-15-7-6-10-27-15)14-11-17(24-3)20(26-5)18(12-14)25-4/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,21,23)
InChIKeySITXTZMQHBAUCB-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.13
Rot. Bonds10

About N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110304317) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110304317
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cc(C(CNC(=O)CCc2cccs2)N(C)C)cc(OC)c1OC
InChIInChI=1S/C20H28N2O4S/c1-22(2)16(13-21-19(23)9-8-15-7-6-10-27-15)14-11-17(24-3)20(26-5)18(12-14)25-4/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,21,23)
InChIKeySITXTZMQHBAUCB-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
CID 112506945
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 46578257
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
(3S)-3-(3,4-dimethoxyphenyl)-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 97201701
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 110304317) is N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide is COc1cc(C(CNC(=O)CCc2cccs2)N(C)C)cc(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is SITXTZMQHBAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-22(2)16(13-21-19(23)9-8-15-7-6-10-27-15)14-11-17(24-3)20(26-5)18(12-14)25-4/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 392.52 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110304317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).