N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide

C24H21NOS — CID 42703297

IUPACN-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
SMILESCc1ccsc1CN(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H21NOS/c1-18-14-15-27-23(18)17-25(16-19-8-3-2-4-9-19)24(26)22-13-7-11-20-10-5-6-12-21(20)22/h2-15H,16-17H2,1H3
InChIKeyJBKVQHSMXPXBDO-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.05
Rot. Bonds5

About N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide

N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide (PubChem CID 42703297) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
PubChem CID42703297
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC NameN-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
SMILESCc1ccsc1CN(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H21NOS/c1-18-14-15-27-23(18)17-25(16-19-8-3-2-4-9-19)24(26)22-13-7-11-20-10-5-6-12-21(20)22/h2-15H,16-17H2,1H3
InChIKeyJBKVQHSMXPXBDO-UHFFFAOYSA-N
XLogP6.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide
CID 93111336
N-benzyl-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4258058
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-fluorobenzamide
CID 3403213
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 4082889
[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
CID 7327186
N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
CID 100795337
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 4166505
2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4098671
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-bromo-N-(oxolan-2-ylmethyl)benzamide
CID 42777658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide (CID 42703297) is N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide is Cc1ccsc1CN(Cc1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is JBKVQHSMXPXBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NOS/c1-18-14-15-27-23(18)17-25(16-19-8-3-2-4-9-19)24(26)22-13-7-11-20-10-5-6-12-21(20)22/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide?
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).