2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

C23H23N3OS — CID 112801638

IUPAC2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(Cc1cccnc1)C1CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-23(17-26(19-12-13-19)16-18-7-6-14-24-15-18)25-21-10-4-5-11-22(21)28-20-8-2-1-3-9-20/h1-11,14-15,19H,12-13,16-17H2,(H,25,27)
InChIKeyCZPVOYIZKLVJHA-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.84
Rot. Bonds8

About 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 112801638) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID112801638
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(Cc1cccnc1)C1CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H23N3OS/c27-23(17-26(19-12-13-19)16-18-7-6-14-24-15-18)25-21-10-4-5-11-22(21)28-20-8-2-1-3-9-20/h1-11,14-15,19H,12-13,16-17H2,(H,25,27)
InChIKeyCZPVOYIZKLVJHA-UHFFFAOYSA-N
XLogP4.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
CID 112801690
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylsulfanylphenyl)carbamate
CID 10478705
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 32514051
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 21380434

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (CID 112801638) is 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN(Cc1cccnc1)C1CC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is CZPVOYIZKLVJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c27-23(17-26(19-12-13-19)16-18-7-6-14-24-15-18)25-21-10-4-5-11-22(21)28-20-8-2-1-3-9-20/h1-11,14-15,19H,12-13,16-17H2,(H,25,27).
What are the key properties of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 112801638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).