N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide

C20H25BrN4O4S — CID 4969617

IUPACN-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H25BrN4O4S/c1-2-22-18-7-6-17(30(27,28)25-8-10-29-11-9-25)13-19(18)23-14-20(26)24-16-5-3-4-15(21)12-16/h3-7,12-13,22-23H,2,8-11,14H2,1H3,(H,24,26)
InChIKeyCUHCKXHXUCNCCU-UHFFFAOYSA-N
MW497.42 g/mol
LogP2.95
Rot. Bonds8

About N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide

N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide (PubChem CID 4969617) has the molecular formula C20H25BrN4O4S and a molecular weight of 497.42 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide
PubChem CID4969617
Molecular FormulaC20H25BrN4O4S
Molecular Weight497.42 g/mol
Exact Mass496.08
IUPAC NameN-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H25BrN4O4S/c1-2-22-18-7-6-17(30(27,28)25-8-10-29-11-9-25)13-19(18)23-14-20(26)24-16-5-3-4-15(21)12-16/h3-7,12-13,22-23H,2,8-11,14H2,1H3,(H,24,26)
InChIKeyCUHCKXHXUCNCCU-UHFFFAOYSA-N
XLogP2.95
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-(4-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 3317983
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
N-(3-bromophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129282150
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 3649053
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
4-Ethyl-7-morpholin-4-ylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 4464475
N-[4-[(2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 4786369
2-[5-(diethylsulfamoyl)-2-morpholin-4-ylanilino]-N-(4-fluorophenyl)acetamide
CID 4838130
N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884049

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide (CID 4969617) is N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide is CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide?
The InChIKey is CUHCKXHXUCNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O4S/c1-2-22-18-7-6-17(30(27,28)25-8-10-29-11-9-25)13-19(18)23-14-20(26)24-16-5-3-4-15(21)12-16/h3-7,12-13,22-23H,2,8-11,14H2,1H3,(H,24,26).
What are the key properties of N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide?
N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide has a molecular weight of 497.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(ethylamino)-5-morpholin-4-ylsulfonylanilino]acetamide is sourced from PubChem (CID 4969617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).