N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide

C15H23N3O2S — CID 56881549

IUPACN-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C(=O)N1CCCC(N(C)C)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(19)16-13-7-10-21-14(13)15(20)18-8-4-5-12(6-9-18)17(2)3/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyBNAAJNRKXKACKE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.26
Rot. Bonds3

About N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide

N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide (PubChem CID 56881549) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide
PubChem CID56881549
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C(=O)N1CCCC(N(C)C)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(19)16-13-7-10-21-14(13)15(20)18-8-4-5-12(6-9-18)17(2)3/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyBNAAJNRKXKACKE-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
N-[2-[(3R)-3-(4-methoxyanilino)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95727361
N-[2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95206250
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
CID 97166798
3-[(4-methylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid
CID 79159609
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 56882588
N-[1-(3-ethylthiophene-2-carbonyl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129007853
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide (CID 56881549) is N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1C(=O)N1CCCC(N(C)C)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide?
The InChIKey is BNAAJNRKXKACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(19)16-13-7-10-21-14(13)15(20)18-8-4-5-12(6-9-18)17(2)3/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide?
N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 56881549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).