N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide

C30H34Cl2N4O5S — CID 91369414

IUPACN-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide
SMILESCCCCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccc(Cl)cc2Cl)c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C30H34Cl2N4O5S/c1-2-3-20-35(34-18-8-5-9-19-34)29(37)22-33-30(38)23-12-15-26(16-13-23)42(39,40)36(25-10-6-4-7-11-25)41-28-17-14-24(31)21-27(28)32/h4,6-7,10-17,21H,2-3,5,8-9,18-20,22H2,1H3,(H,33,38)
InChIKeyDNMYSFMWBDKORU-UHFFFAOYSA-N
MW633.60 g/mol
LogP5.94
Rot. Bonds12

About N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide

N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide (PubChem CID 91369414) has the molecular formula C30H34Cl2N4O5S and a molecular weight of 633.60 g/mol. Its IUPAC name is N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide
PubChem CID91369414
Molecular FormulaC30H34Cl2N4O5S
Molecular Weight633.60 g/mol
Exact Mass632.16
IUPAC NameN-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide
SMILESCCCCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccc(Cl)cc2Cl)c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C30H34Cl2N4O5S/c1-2-3-20-35(34-18-8-5-9-19-34)29(37)22-33-30(38)23-12-15-26(16-13-23)42(39,40)36(25-10-6-4-7-11-25)41-28-17-14-24(31)21-27(28)32/h4,6-7,10-17,21H,2-3,5,8-9,18-20,22H2,1H3,(H,33,38)
InChIKeyDNMYSFMWBDKORU-UHFFFAOYSA-N
XLogP5.94
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.60
LogP ≤ 55.94
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

4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-oxo-2-(4-piperidin-1-ylbutylamino)ethyl]benzamide
CID 87472007
N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87473295
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 87503231
ethyl 2-[[4-[(2-chloro-4-fluorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetate
CID 87471816
2-[[4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetic acid
CID 87471293
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-oxo-2-(4-piperidin-4-ylbutylamino)ethyl]benzamide;hydrochloride
CID 87471136
tert-butyl N-[[4-[[[2-[[4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetyl]amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 173087617
4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 87504158
tert-butyl 4-[[[1-[4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzoyl]piperidine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 87486888
N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
CID 87471937
N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112995368
N-ethyl-N-[2-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]acetyl]piperazin-1-amine oxide;hydrochloride
CID 87471127

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide?
The IUPAC name of N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide (CID 91369414) is N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide.
What is the SMILES notation for N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide?
The canonical SMILES for N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide is CCCCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccc(Cl)cc2Cl)c2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide?
The InChIKey is DNMYSFMWBDKORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N4O5S/c1-2-3-20-35(34-18-8-5-9-19-34)29(37)22-33-30(38)23-12-15-26(16-13-23)42(39,40)36(25-10-6-4-7-11-25)41-28-17-14-24(31)21-27(28)32/h4,6-7,10-17,21H,2-3,5,8-9,18-20,22H2,1H3,(H,33,38).
What are the key properties of N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide?
N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide has a molecular weight of 633.60 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(piperidin-1-yl)amino]-2-oxoethyl]-4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]benzamide is sourced from PubChem (CID 91369414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).