1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C20H28N4O4S — CID 135903946

IUPAC1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)CC1
InChIInChI=1S/C20H28N4O4S/c1-4-29(27,28)23-11-9-15(10-12-23)20(26)24(14(2)3)13-18-21-17-8-6-5-7-16(17)19(25)22-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyFCIUJKSPIZZNOB-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.72
Rot. Bonds6

About 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 135903946) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID135903946
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)CC1
InChIInChI=1S/C20H28N4O4S/c1-4-29(27,28)23-11-9-15(10-12-23)20(26)24(14(2)3)13-18-21-17-8-6-5-7-16(17)19(25)22-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25)
InChIKeyFCIUJKSPIZZNOB-UHFFFAOYSA-N
XLogP1.72
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 136793456
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 137316110
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 135877067
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
3-morpholin-4-ylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135893000
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 135903946) is 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FCIUJKSPIZZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-4-29(27,28)23-11-9-15(10-12-23)20(26)24(14(2)3)13-18-21-17-8-6-5-7-16(17)19(25)22-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22,25).
What are the key properties of 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 135903946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).