5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide

C17H22N2O2S2 — CID 72889827

IUPAC5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cs1
InChIInChI=1S/C17H22N2O2S2/c1-12-5-6-15(23-12)10-19(8-7-18(3)4)17(21)14-9-16(13(2)20)22-11-14/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyVONXFGSSSLSRAW-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.52
Rot. Bonds7

About 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide

5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 72889827) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
PubChem CID72889827
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cs1
InChIInChI=1S/C17H22N2O2S2/c1-12-5-6-15(23-12)10-19(8-7-18(3)4)17(21)14-9-16(13(2)20)22-11-14/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyVONXFGSSSLSRAW-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
CID 50982102
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CID 74240783
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 46987892
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
CID 50976253
N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
CID 78949596
1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone
CID 83817270
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 74251315
5-chloro-N-(3-hydroxypropyl)-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 50981517
5-acetyl-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 74250247
3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
CID 7995051
N-[2-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 48866071

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide (CID 72889827) is 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cs1.
What is the InChIKey of 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is VONXFGSSSLSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-12-5-6-15(23-12)10-19(8-7-18(3)4)17(21)14-9-16(13(2)20)22-11-14/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide?
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 72889827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).