6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide

C21H28N2O3S — CID 55332875

IUPAC6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCCCCNC(C)=O
InChIInChI=1S/C21H28N2O3S/c1-17(24)22-13-7-3-4-12-21(25)23(16-19-10-8-14-27-19)15-18-9-5-6-11-20(18)26-2/h5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,22,24)
InChIKeySANQSRSDYWZTBT-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.98
Rot. Bonds11

About 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide

6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide (PubChem CID 55332875) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
PubChem CID55332875
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCCCCNC(C)=O
InChIInChI=1S/C21H28N2O3S/c1-17(24)22-13-7-3-4-12-21(25)23(16-19-10-8-14-27-19)15-18-9-5-6-11-20(18)26-2/h5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,22,24)
InChIKeySANQSRSDYWZTBT-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.98
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,N-bis(thiophen-2-ylmethyl)hexanamide
CID 173199914
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119685041
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844
N-[(2-methoxyphenyl)methyl]-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 24627559
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
tert-butyl N-[6-[(2-methoxyphenyl)methyl-[8-[(2-methoxyphenyl)methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]octyl]amino]-6-oxohexyl]carbamate
CID 11094031

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide (CID 55332875) is 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide is COc1ccccc1CN(Cc1cccs1)C(=O)CCCCCNC(C)=O.
What is the InChIKey of 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide?
The InChIKey is SANQSRSDYWZTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17(24)22-13-7-3-4-12-21(25)23(16-19-10-8-14-27-19)15-18-9-5-6-11-20(18)26-2/h5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,22,24).
What are the key properties of 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide?
6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide has a molecular weight of 388.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 55332875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).