5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide

C17H26N2O2S — CID 18165170

IUPAC5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC2(N(C)C)CCCCCC2)s1
InChIInChI=1S/C17H26N2O2S/c1-13(20)14-8-9-15(22-14)16(21)18-12-17(19(2)3)10-6-4-5-7-11-17/h8-9H,4-7,10-12H2,1-3H3,(H,18,21)
InChIKeyBMDKLQUSMMNKSJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.34
Rot. Bonds5

About 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide

5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide (PubChem CID 18165170) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
PubChem CID18165170
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC2(N(C)C)CCCCCC2)s1
InChIInChI=1S/C17H26N2O2S/c1-13(20)14-8-9-15(22-14)16(21)18-12-17(19(2)3)10-6-4-5-7-11-17/h8-9H,4-7,10-12H2,1-3H3,(H,18,21)
InChIKeyBMDKLQUSMMNKSJ-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51963936
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 154924430
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887575
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 9069255
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide (CID 18165170) is 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCC2(N(C)C)CCCCCC2)s1.
What is the InChIKey of 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide?
The InChIKey is BMDKLQUSMMNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(20)14-8-9-15(22-14)16(21)18-12-17(19(2)3)10-6-4-5-7-11-17/h8-9H,4-7,10-12H2,1-3H3,(H,18,21).
What are the key properties of 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18165170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).