N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide

C23H31NOS — CID 42704282

IUPACN-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide
SMILESCCCCCCC(=O)N(Cc1sccc1C)C1CCCc2ccccc21
InChIInChI=1S/C23H31NOS/c1-3-4-5-6-14-23(25)24(17-22-18(2)15-16-26-22)21-13-9-11-19-10-7-8-12-20(19)21/h7-8,10,12,15-16,21H,3-6,9,11,13-14,17H2,1-2H3
InChIKeyVXZJJEIDEKXHJQ-UHFFFAOYSA-N
MW369.57 g/mol
LogP6.43
Rot. Bonds8

About N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide

N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide (PubChem CID 42704282) has the molecular formula C23H31NOS and a molecular weight of 369.57 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide
PubChem CID42704282
Molecular FormulaC23H31NOS
Molecular Weight369.57 g/mol
Exact Mass369.21
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide
SMILESCCCCCCC(=O)N(Cc1sccc1C)C1CCCc2ccccc21
InChIInChI=1S/C23H31NOS/c1-3-4-5-6-14-23(25)24(17-22-18(2)15-16-26-22)21-13-9-11-19-10-7-8-12-20(19)21/h7-8,10,12,15-16,21H,3-6,9,11,13-14,17H2,1-2H3
InChIKeyVXZJJEIDEKXHJQ-UHFFFAOYSA-N
XLogP6.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.57
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide (CID 42704282) is N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide is CCCCCCC(=O)N(Cc1sccc1C)C1CCCc2ccccc21.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide?
The InChIKey is VXZJJEIDEKXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NOS/c1-3-4-5-6-14-23(25)24(17-22-18(2)15-16-26-22)21-13-9-11-19-10-7-8-12-20(19)21/h7-8,10,12,15-16,21H,3-6,9,11,13-14,17H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide?
N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide has a molecular weight of 369.57 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide is sourced from PubChem (CID 42704282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).