N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C24H29F3N2O5S — CID 146062387

IUPACN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28N2O3S.C2HF3O2/c1-3-5-17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(9-11-19)22(14-15-22)21(25)23-16-4-2;3-2(4,5)1(6)7/h6-13,24H,3-5,14-16H2,1-2H3,(H,23,25);(H,6,7)
InChIKeyYQDKNPSABMKTRZ-UHFFFAOYSA-N
MW514.57 g/mol
LogP4.63
Rot. Bonds9

About N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062387) has the molecular formula C24H29F3N2O5S and a molecular weight of 514.57 g/mol. Its IUPAC name is N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146062387
Molecular FormulaC24H29F3N2O5S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC NameN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28N2O3S.C2HF3O2/c1-3-5-17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(9-11-19)22(14-15-22)21(25)23-16-4-2;3-2(4,5)1(6)7/h6-13,24H,3-5,14-16H2,1-2H3,(H,23,25);(H,6,7)
InChIKeyYQDKNPSABMKTRZ-UHFFFAOYSA-N
XLogP4.63
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
N-propyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062369
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062380
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822304
N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062320
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062332
1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062286
1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062254
N-butyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062335
N-(3-methylbutyl)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061781

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146062387) is N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YQDKNPSABMKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S.C2HF3O2/c1-3-5-17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(9-11-19)22(14-15-22)21(25)23-16-4-2;3-2(4,5)1(6)7/h6-13,24H,3-5,14-16H2,1-2H3,(H,23,25);(H,6,7).
What are the key properties of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 514.57 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).