N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide

C27H30N4O5S — CID 87473295

IUPACN-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C27H30N4O5S/c1-2-30(29-19-9-10-20-29)26(32)21-28-27(33)22-15-17-25(18-16-22)37(34,35)31(23-11-5-3-6-12-23)36-24-13-7-4-8-14-24/h3-8,11-18H,2,9-10,19-21H2,1H3,(H,28,33)
InChIKeyZMJYZEHZPMWPGX-UHFFFAOYSA-N
MW522.63 g/mol
LogP3.46
Rot. Bonds10

About N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide

N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide (PubChem CID 87473295) has the molecular formula C27H30N4O5S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
PubChem CID87473295
Molecular FormulaC27H30N4O5S
Molecular Weight522.63 g/mol
Exact Mass522.19
IUPAC NameN-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C27H30N4O5S/c1-2-30(29-19-9-10-20-29)26(32)21-28-27(33)22-15-17-25(18-16-22)37(34,35)31(23-11-5-3-6-12-23)36-24-13-7-4-8-14-24/h3-8,11-18H,2,9-10,19-21H2,1H3,(H,28,33)
InChIKeyZMJYZEHZPMWPGX-UHFFFAOYSA-N
XLogP3.46
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
CID 87471937
N-ethyl-N-[2-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]acetyl]piperazin-1-amine oxide;hydrochloride
CID 87471127
N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide
CID 91369414
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87472130
4-[[3-(diethylamino)phenoxy]-phenylsulfamoyl]-N-[4-(2-pyrrolidin-1-ylethyl)cyclohexyl]benzamide
CID 87486436
ethyl 2-[[4-[(2-chloro-4-fluorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetate
CID 87471816
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-oxo-2-(4-piperidin-1-ylbutylamino)ethyl]benzamide
CID 87472007
N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87471771
2-[[4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetic acid
CID 87471293
tert-butyl 4-[[[1-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]cyclopropanecarbonyl]amino]methyl]piperidine-1-carboxylate
CID 87471303
4-[[3-(diethylamino)phenoxy]-phenylsulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide
CID 87486307
4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 87504158

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide (CID 87473295) is N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide is CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The InChIKey is ZMJYZEHZPMWPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5S/c1-2-30(29-19-9-10-20-29)26(32)21-28-27(33)22-15-17-25(18-16-22)37(34,35)31(23-11-5-3-6-12-23)36-24-13-7-4-8-14-24/h3-8,11-18H,2,9-10,19-21H2,1H3,(H,28,33).
What are the key properties of N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide has a molecular weight of 522.63 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 87473295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).