4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide

C17H26N2O4S — CID 40742279

IUPAC4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)14-8-9-15(23-2)16(13-14)24(21,22)19-11-6-7-12-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,18,20)
InChIKeyBNSUXABCUBRXPQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.40
Rot. Bonds8

About 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 40742279) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID40742279
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)14-8-9-15(23-2)16(13-14)24(21,22)19-11-6-7-12-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,18,20)
InChIKeyBNSUXABCUBRXPQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.40
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-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18120867
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 49366498
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 40742279) is 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide is CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BNSUXABCUBRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-5-10-18-17(20)14-8-9-15(23-2)16(13-14)24(21,22)19-11-6-7-12-19/h8-9,13H,3-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 40742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).