N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide

C24H23N3OS2 — CID 44522160

IUPACN-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cccc(NC(c2cccs2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C24H23N3OS2/c1-15-9-7-13-20(25-15)26-22(19-12-8-14-29-19)21-16(2)17(3)30-24(21)27-23(28)18-10-5-4-6-11-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28)
InChIKeyGBCAQCPCCOUMDX-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.58
Rot. Bonds6

About N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 44522160) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
PubChem CID44522160
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC NameN-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cccc(NC(c2cccs2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C24H23N3OS2/c1-15-9-7-13-20(25-15)26-22(19-12-8-14-29-19)21-16(2)17(3)30-24(21)27-23(28)18-10-5-4-6-11-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28)
InChIKeyGBCAQCPCCOUMDX-UHFFFAOYSA-N
XLogP6.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-[1-(6-methylpyridinium-2-yl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene](thiophen-2-yl)methanolate
CID 4343313
N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
CID 5186884
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
5-Phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
2-[(6-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127138
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
5-Phenyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]thiophene-3-carboxamide
CID 25127784
5-(2,4-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525628
5-(4-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525688
5-(2-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525717
2-[(6-Methylpyridin-2-yl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59525728

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (CID 44522160) is N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is Cc1cccc(NC(c2cccs2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1.
What is the InChIKey of N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is GBCAQCPCCOUMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-15-9-7-13-20(25-15)26-22(19-12-8-14-29-19)21-16(2)17(3)30-24(21)27-23(28)18-10-5-4-6-11-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 44522160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).