N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C19H26N4O5S — CID 97262132

IUPACN-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccc([C@@H](CN2CCCC2)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H26N4O5S/c1-21-13-17(18(24)22(2)19(21)25)29(26,27)20-16(12-23-10-4-5-11-23)14-6-8-15(28-3)9-7-14/h6-9,13,16,20H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKeyLFGCSTRFZZDZTK-MRXNPFEDSA-N
MW422.51 g/mol
LogP0.21
Rot. Bonds7

About N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 97262132) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID97262132
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccc([C@@H](CN2CCCC2)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C19H26N4O5S/c1-21-13-17(18(24)22(2)19(21)25)29(26,27)20-16(12-23-10-4-5-11-23)14-6-8-15(28-3)9-7-14/h6-9,13,16,20H,4-5,10-12H2,1-3H3/t16-/m1/s1
InChIKeyLFGCSTRFZZDZTK-MRXNPFEDSA-N
XLogP0.21
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 92698423
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide
CID 75499965

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 97262132) is N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is COc1ccc([C@@H](CN2CCCC2)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is LFGCSTRFZZDZTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-21-13-17(18(24)22(2)19(21)25)29(26,27)20-16(12-23-10-4-5-11-23)14-6-8-15(28-3)9-7-14/h6-9,13,16,20H,4-5,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 97262132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).