N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

C22H28ClN3O5S — CID 55947275

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-4-15(3)25-21(27)12-13-24-22(28)19-14-18(10-11-20(19)23)32(29,30)26-16-6-8-17(9-7-16)31-5-2/h6-11,14-15,26H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYOKYOCUZOYSAPI-UHFFFAOYSA-N
MW482.00 g/mol
LogP3.57
Rot. Bonds11

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 55947275) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID55947275
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-4-15(3)25-21(27)12-13-24-22(28)19-14-18(10-11-20(19)23)32(29,30)26-16-6-8-17(9-7-16)31-5-2/h6-11,14-15,26H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyYOKYOCUZOYSAPI-UHFFFAOYSA-N
XLogP3.57
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
CID 55948548
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 32833050
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946422
2-chloro-N,N-bis(2-cyanoethyl)-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55370337
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
N-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 55947275) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is YOKYOCUZOYSAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-4-15(3)25-21(27)12-13-24-22(28)19-14-18(10-11-20(19)23)32(29,30)26-16-6-8-17(9-7-16)31-5-2/h6-11,14-15,26H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 482.00 g/mol, XLogP of 3.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55947275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).