1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

C23H29N3O4S — CID 50822161

IUPAC1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-15(2)14-24-22(28)23(11-12-23)18-6-8-19(9-7-18)26-31(29,30)21-13-16(3)5-10-20(21)25-17(4)27/h5-10,13,15,26H,11-12,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyUJMZPKNMGZSILD-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.56
Rot. Bonds8

About 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 50822161) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID50822161
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-15(2)14-24-22(28)23(11-12-23)18-6-8-19(9-7-18)26-31(29,30)21-13-16(3)5-10-20(21)25-17(4)27/h5-10,13,15,26H,11-12,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyUJMZPKNMGZSILD-UHFFFAOYSA-N
XLogP3.56
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061864
1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 50822139
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062249
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822134
N-(2-methylpropyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062251
1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062254
N-butan-2-yl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061907
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 46378125
1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
CID 50827206
N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 50822161) is 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is UJMZPKNMGZSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15(2)14-24-22(28)23(11-12-23)18-6-8-19(9-7-18)26-31(29,30)21-13-16(3)5-10-20(21)25-17(4)27/h5-10,13,15,26H,11-12,14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50822161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).