N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide

C20H28ClN3O5S — CID 55655234

IUPACN-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1
InChIInChI=1S/C20H28ClN3O5S/c1-3-10-30(27,28)22-16-6-8-23(9-7-16)20(26)14-11-19(25)24(13-14)17-12-15(21)4-5-18(17)29-2/h4-5,12,14,16,22H,3,6-11,13H2,1-2H3
InChIKeyXBXWHCNKEXDRGJ-UHFFFAOYSA-N
MW457.98 g/mol
LogP2.02
Rot. Bonds7

About N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55655234) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID55655234
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC NameN-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1
InChIInChI=1S/C20H28ClN3O5S/c1-3-10-30(27,28)22-16-6-8-23(9-7-16)20(26)14-11-19(25)24(13-14)17-12-15(21)4-5-18(17)29-2/h4-5,12,14,16,22H,3,6-11,13H2,1-2H3
InChIKeyXBXWHCNKEXDRGJ-UHFFFAOYSA-N
XLogP2.02
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
1-(5-chloro-2-methoxyphenyl)-4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyrrolidin-2-one
CID 119636314
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112836375
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035
N-[1-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655263
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132490

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide (CID 55655234) is N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1.
What is the InChIKey of N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is XBXWHCNKEXDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c1-3-10-30(27,28)22-16-6-8-23(9-7-16)20(26)14-11-19(25)24(13-14)17-12-15(21)4-5-18(17)29-2/h4-5,12,14,16,22H,3,6-11,13H2,1-2H3.
What are the key properties of N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 457.98 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55655234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).