N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide

C24H27N3O4S — CID 170977309

IUPACN-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)17-11-9-16(10-12-17)23(28)26-19-7-5-6-8-20(19)27-32(29,30)22-15-18(25)13-14-21(22)31-4/h5-15,27H,25H2,1-4H3,(H,26,28)
InChIKeyBPXYHEYUIHWSKH-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.63
Rot. Bonds6

About N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide

N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide (PubChem CID 170977309) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
PubChem CID170977309
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)17-11-9-16(10-12-17)23(28)26-19-7-5-6-8-20(19)27-32(29,30)22-15-18(25)13-14-21(22)31-4/h5-15,27H,25H2,1-4H3,(H,26,28)
InChIKeyBPXYHEYUIHWSKH-UHFFFAOYSA-N
XLogP4.63
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide (CID 170977309) is N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide is COc1ccc(N)cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide?
The InChIKey is BPXYHEYUIHWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-24(2,3)17-11-9-16(10-12-17)23(28)26-19-7-5-6-8-20(19)27-32(29,30)22-15-18(25)13-14-21(22)31-4/h5-15,27H,25H2,1-4H3,(H,26,28).
What are the key properties of N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide?
N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide has a molecular weight of 453.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 170977309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).