N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide

C24H23N3OS2 — CID 93479922

IUPACN-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc([C@@H](Nc2cccc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H23N3OS2/c1-3-18-15-19(24(30-18)27-23(28)17-10-5-4-6-11-17)22(20-12-8-14-29-20)26-21-13-7-9-16(2)25-21/h4-15,22H,3H2,1-2H3,(H,25,26)(H,27,28)/t22-/m1/s1
InChIKeyTYLTVBGCDMVHQK-JOCHJYFZSA-N
MW433.60 g/mol
LogP6.53
Rot. Bonds7

About N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide

N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93479922) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
PubChem CID93479922
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC NameN-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc([C@@H](Nc2cccc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H23N3OS2/c1-3-18-15-19(24(30-18)27-23(28)17-10-5-4-6-11-17)22(20-12-8-14-29-20)26-21-13-7-9-16(2)25-21/h4-15,22H,3H2,1-2H3,(H,25,26)(H,27,28)/t22-/m1/s1
InChIKeyTYLTVBGCDMVHQK-JOCHJYFZSA-N
XLogP6.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide (CID 93479922) is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is CCc1cc([C@@H](Nc2cccc(C)n2)c2cccs2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is TYLTVBGCDMVHQK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-3-18-15-19(24(30-18)27-23(28)17-10-5-4-6-11-17)22(20-12-8-14-29-20)26-21-13-7-9-16(2)25-21/h4-15,22H,3H2,1-2H3,(H,25,26)(H,27,28)/t22-/m1/s1.
What are the key properties of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide?
N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93479922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).