N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H26N2O4S — CID 28633429

IUPACN-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1cccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-14-19(10-11-20(16)23-13-5-9-21(23)24)28(25,26)22-12-4-7-17-6-3-8-18(15-17)27-2/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13H2,1-2H3
InChIKeyRHPIFYUYWMMRQA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.04
Rot. Bonds8

About N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 28633429) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID28633429
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1cccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-14-19(10-11-20(16)23-13-5-9-21(23)24)28(25,26)22-12-4-7-17-6-3-8-18(15-17)27-2/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13H2,1-2H3
InChIKeyRHPIFYUYWMMRQA-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99955331
N-(2-tert-butylsulfanylethyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28566256
3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46773064
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
4-methoxy-N-(3-methoxypropyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30393955
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 92682941
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38002704
N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 53284171
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 53284182
3-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53278543

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 28633429) is N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1cccc(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RHPIFYUYWMMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-14-19(10-11-20(16)23-13-5-9-21(23)24)28(25,26)22-12-4-7-17-6-3-8-18(15-17)27-2/h3,6,8,10-11,14-15,22H,4-5,7,9,12-13H2,1-2H3.
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 28633429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).