N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide

C19H23N3O4S — CID 110609610

IUPACN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-15-5-7-17(8-6-15)27(25,26)22(2)13-12-21-19(24)10-9-18(23)16-4-3-11-20-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyHOFUCXWSABPSAO-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.79
Rot. Bonds9

About N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110609610) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110609610
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-15-5-7-17(8-6-15)27(25,26)22(2)13-12-21-19(24)10-9-18(23)16-4-3-11-20-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyHOFUCXWSABPSAO-UHFFFAOYSA-N
XLogP1.79
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110626756
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
CID 110415330
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
2-cyclopropyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 110609594
(2S)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 20582824
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110609610) is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide is Cc1ccc(S(=O)(=O)N(C)CCNC(=O)CCC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is HOFUCXWSABPSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15-5-7-17(8-6-15)27(25,26)22(2)13-12-21-19(24)10-9-18(23)16-4-3-11-20-14-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 389.48 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110609610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).