N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide

C19H26N4O5S — CID 154831306

IUPACN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C19H26N4O5S/c1-4-28-15-5-7-16(8-6-15)29(26,27)20-14-9-11-23(12-10-14)17-13-21(2)19(25)22(3)18(17)24/h5-8,13-14,20H,4,9-12H2,1-3H3
InChIKeyIKVLXZNGTRKUDN-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.43
Rot. Bonds6

About N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide

N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide (PubChem CID 154831306) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
PubChem CID154831306
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C19H26N4O5S/c1-4-28-15-5-7-16(8-6-15)29(26,27)20-14-9-11-23(12-10-14)17-13-21(2)19(25)22(3)18(17)24/h5-8,13-14,20H,4,9-12H2,1-3H3
InChIKeyIKVLXZNGTRKUDN-UHFFFAOYSA-N
XLogP0.43
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide
CID 110736987
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50832756
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide (CID 154831306) is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc1.
What is the InChIKey of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is IKVLXZNGTRKUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-4-28-15-5-7-16(8-6-15)29(26,27)20-14-9-11-23(12-10-14)17-13-21(2)19(25)22(3)18(17)24/h5-8,13-14,20H,4,9-12H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide?
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 154831306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).