(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide

C23H28F2N2O3S — CID 44816361

IUPAC(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CC1c1cc(F)c(C(C)(C)C)c(F)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H28F2N2O3S/c1-13(14-6-8-16(9-7-14)27-31(5,29)30)26-22(28)18-12-17(18)15-10-19(24)21(20(25)11-15)23(2,3)4/h6-11,13,17-18,27H,12H2,1-5H3,(H,26,28)/t13?,17?,18-/m1/s1
InChIKeyBXLAZLNPBQDSCM-ZTUNLMCQSA-N
MW450.55 g/mol
LogP4.61
Rot. Bonds6

About (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide

(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 44816361) has the molecular formula C23H28F2N2O3S and a molecular weight of 450.55 g/mol. Its IUPAC name is (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID44816361
Molecular FormulaC23H28F2N2O3S
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CC1c1cc(F)c(C(C)(C)C)c(F)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C23H28F2N2O3S/c1-13(14-6-8-16(9-7-14)27-31(5,29)30)26-22(28)18-12-17(18)15-10-19(24)21(20(25)11-15)23(2,3)4/h6-11,13,17-18,27H,12H2,1-5H3,(H,26,28)/t13?,17?,18-/m1/s1
InChIKeyBXLAZLNPBQDSCM-ZTUNLMCQSA-N
XLogP4.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 11854133
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
CID 142686883
2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide
CID 91002937
trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide (CID 44816361) is (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1CC1c1cc(F)c(C(C)(C)C)c(F)c1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is BXLAZLNPBQDSCM-ZTUNLMCQSA-N. The full InChI is InChI=1S/C23H28F2N2O3S/c1-13(14-6-8-16(9-7-14)27-31(5,29)30)26-22(28)18-12-17(18)15-10-19(24)21(20(25)11-15)23(2,3)4/h6-11,13,17-18,27H,12H2,1-5H3,(H,26,28)/t13?,17?,18-/m1/s1.
What are the key properties of (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide?
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 44816361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).