N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide

C22H19N3OS2 — CID 93064735

IUPACN-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C22H19N3OS2/c1-15-13-18(22(28-15)25-21(26)16-7-3-2-4-8-16)20(17-10-12-27-14-17)24-19-9-5-6-11-23-19/h2-14,20H,1H3,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyKLBDOTMIEWEBIE-HXUWFJFHSA-N
MW405.55 g/mol
LogP5.97
Rot. Bonds6

About N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide

N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93064735) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
PubChem CID93064735
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C22H19N3OS2/c1-15-13-18(22(28-15)25-21(26)16-7-3-2-4-8-16)20(17-10-12-27-14-17)24-19-9-5-6-11-23-19/h2-14,20H,1H3,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyKLBDOTMIEWEBIE-HXUWFJFHSA-N
XLogP5.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide
CID 93064721
N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064801
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide
CID 93064821
N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479874
N-[3-[(S)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]benzamide
CID 93064717
N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 93064775
N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064787
N-[3-[(3-bromophenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 53045220
N-[5-methyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
CID 93480583
N-[3-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4671771
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]benzamide
CID 46740904
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 93064872

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide (CID 93064735) is N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is Cc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is KLBDOTMIEWEBIE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-15-13-18(22(28-15)25-21(26)16-7-3-2-4-8-16)20(17-10-12-27-14-17)24-19-9-5-6-11-23-19/h2-14,20H,1H3,(H,23,24)(H,25,26)/t20-/m1/s1.
What are the key properties of N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide?
N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 405.55 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93064735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).