N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide

C20H27N3O3S — CID 76655354

IUPACN-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(C)c2ccc(N(C)S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-14(2)17-8-6-16(7-9-17)12-20(24)22-15(3)19-11-10-18(13-21-19)23(4)27(5,25)26/h6-11,13-15H,12H2,1-5H3,(H,22,24)
InChIKeyLYIHRXITCQUTJH-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.02
Rot. Bonds7

About N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide

N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 76655354) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID76655354
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(C)c2ccc(N(C)S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C20H27N3O3S/c1-14(2)17-8-6-16(7-9-17)12-20(24)22-15(3)19-11-10-18(13-21-19)23(4)27(5,25)26/h6-11,13-15H,12H2,1-5H3,(H,22,24)
InChIKeyLYIHRXITCQUTJH-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 133260923
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 133260926
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931
N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 74827168
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 24764921
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787928
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133260963
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (CID 76655354) is N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)NC(C)c2ccc(N(C)S(C)(=O)=O)cn2)cc1.
What is the InChIKey of N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is LYIHRXITCQUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14(2)17-8-6-16(7-9-17)12-20(24)22-15(3)19-11-10-18(13-21-19)23(4)27(5,25)26/h6-11,13-15H,12H2,1-5H3,(H,22,24).
What are the key properties of N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 76655354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).