1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C25H28F3N3O7S — CID 146061805

IUPAC1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCO4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N3O5S.C2HF3O2/c1-16(27)25-18-8-10-21(11-9-18)32(29,30)26-19-6-4-17(5-7-19)23(12-13-23)22(28)24-15-20-3-2-14-31-20;3-2(4,5)1(6)7/h4-11,20,26H,2-3,12-15H2,1H3,(H,24,28)(H,25,27);(H,6,7)
InChIKeyUVUIGPCUIGVATM-UHFFFAOYSA-N
MW571.57 g/mol
LogP3.41
Rot. Bonds8

About 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146061805) has the molecular formula C25H28F3N3O7S and a molecular weight of 571.57 g/mol. Its IUPAC name is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146061805
Molecular FormulaC25H28F3N3O7S
Molecular Weight571.57 g/mol
Exact Mass571.16
IUPAC Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCO4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N3O5S.C2HF3O2/c1-16(27)25-18-8-10-21(11-9-18)32(29,30)26-19-6-4-17(5-7-19)23(12-13-23)22(28)24-15-20-3-2-14-31-20;3-2(4,5)1(6)7/h4-11,20,26H,2-3,12-15H2,1H3,(H,24,28)(H,25,27);(H,6,7)
InChIKeyUVUIGPCUIGVATM-UHFFFAOYSA-N
XLogP3.41
TPSA150.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.57
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
N-(oxolan-2-ylmethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378114
1-[4-(benzenesulfonamido)phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 46384143
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 46378095
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880224
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062147
N-(cyclohexylmethyl)-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062211
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062216
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
N-[[(2R)-oxolan-2-yl]methyl]-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 92880194

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146061805) is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCO4)CC3)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UVUIGPCUIGVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S.C2HF3O2/c1-16(27)25-18-8-10-21(11-9-18)32(29,30)26-19-6-4-17(5-7-19)23(12-13-23)22(28)24-15-20-3-2-14-31-20;3-2(4,5)1(6)7/h4-11,20,26H,2-3,12-15H2,1H3,(H,24,28)(H,25,27);(H,6,7).
What are the key properties of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 571.57 g/mol, XLogP of 3.41, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146061805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).