N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C20H27N3O4S — CID 17482296

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C20H27N3O4S/c1-13(2)16-5-7-17(8-6-16)28(26,27)22-10-9-19(24)21-12-18-14(3)11-15(4)23-20(18)25/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyVVLDAHXUOVIKDP-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.10
Rot. Bonds8

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 17482296) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID17482296
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C20H27N3O4S/c1-13(2)16-5-7-17(8-6-16)28(26,27)22-10-9-19(24)21-12-18-14(3)11-15(4)23-20(18)25/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyVVLDAHXUOVIKDP-UHFFFAOYSA-N
XLogP2.10
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24549159
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24681682
N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24682845
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27171008
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24648488

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 17482296) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is VVLDAHXUOVIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13(2)16-5-7-17(8-6-16)28(26,27)22-10-9-19(24)21-12-18-14(3)11-15(4)23-20(18)25/h5-8,11,13,22H,9-10,12H2,1-4H3,(H,21,24)(H,23,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 405.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17482296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).