2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide

C23H30ClN3O3S — CID 91002937

IUPAC2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H30ClN3O3S/c1-13-11-15(7-9-19(13)27-31(6,29)30)14(2)25-22(28)18-12-17(18)16-8-10-20(23(3,4)5)26-21(16)24/h7-11,14,17-18,27H,12H2,1-6H3,(H,25,28)
InChIKeyNZUKWQZWQNZKTR-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.69
Rot. Bonds6

About 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide

2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 91002937) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID91002937
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H30ClN3O3S/c1-13-11-15(7-9-19(13)27-31(6,29)30)14(2)25-22(28)18-12-17(18)16-8-10-20(23(3,4)5)26-21(16)24/h7-11,14,17-18,27H,12H2,1-6H3,(H,25,28)
InChIKeyNZUKWQZWQNZKTR-UHFFFAOYSA-N
XLogP4.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(methanesulfonamido)-5-[(1R)-1-[[2-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 67046758
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 11854133
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]cyclopropane-1-carboxamide
CID 44816361
2-(4-tert-butyl-3-chlorophenoxy)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide
CID 21097437
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416
trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119180730
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 25010239
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide
CID 25010577

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide (CID 91002937) is 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide is Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is NZUKWQZWQNZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-13-11-15(7-9-19(13)27-31(6,29)30)14(2)25-22(28)18-12-17(18)16-8-10-20(23(3,4)5)26-21(16)24/h7-11,14,17-18,27H,12H2,1-6H3,(H,25,28).
What are the key properties of 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide?
2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 464.03 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-chloro-3-pyridinyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91002937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).