N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

C22H29N3O4S — CID 31417807

IUPACN-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)15-5-7-16(8-6-15)24-21(26)14-23-19-13-18(11-12-20(19)29-4)30(27,28)25-17-9-10-17/h5-8,11-13,17,23,25H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyYSHTWXGQLHIIRA-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.48
Rot. Bonds8

About N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (PubChem CID 31417807) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
PubChem CID31417807
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)15-5-7-16(8-6-15)24-21(26)14-23-19-13-18(11-12-20(19)29-4)30(27,28)25-17-9-10-17/h5-8,11-13,17,23,25H,9-10,14H2,1-4H3,(H,24,26)
InChIKeyYSHTWXGQLHIIRA-UHFFFAOYSA-N
XLogP3.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (CID 31417807) is N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The InChIKey is YSHTWXGQLHIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(2,3)15-5-7-16(8-6-15)24-21(26)14-23-19-13-18(11-12-20(19)29-4)30(27,28)25-17-9-10-17/h5-8,11-13,17,23,25H,9-10,14H2,1-4H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide has a molecular weight of 431.56 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is sourced from PubChem (CID 31417807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).