6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide

C18H24N2O2S2 — CID 173199914

IUPAC6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H24N2O2S2/c1-15(21)19-10-4-2-3-9-18(22)20(13-16-7-5-11-23-16)14-17-8-6-12-24-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,19,21)
InChIKeyNJEQEBYLARGRLL-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.03
Rot. Bonds10

About 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide

6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide (PubChem CID 173199914) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
PubChem CID173199914
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H24N2O2S2/c1-15(21)19-10-4-2-3-9-18(22)20(13-16-7-5-11-23-16)14-17-8-6-12-24-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,19,21)
InChIKeyNJEQEBYLARGRLL-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
CID 55332875
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide (CID 173199914) is 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide is CC(=O)NCCCCCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The InChIKey is NJEQEBYLARGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-15(21)19-10-4-2-3-9-18(22)20(13-16-7-5-11-23-16)14-17-8-6-12-24-17/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,19,21).
What are the key properties of 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide?
6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide has a molecular weight of 364.54 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 173199914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).