N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C23H30N2O3S — CID 46378154

IUPACN-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-6-18(5)24-22(26)23(11-12-23)19-7-9-20(10-8-19)25-29(27,28)21-14-16(3)15(2)13-17(21)4/h7-10,13-14,18,25H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyMZUISUGFAXGRBB-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.36
Rot. Bonds7

About N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 46378154) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID46378154
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-6-18(5)24-22(26)23(11-12-23)19-7-9-20(10-8-19)25-29(27,28)21-14-16(3)15(2)13-17(21)4/h7-10,13-14,18,25H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyMZUISUGFAXGRBB-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895402
N-methyl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822342
N-butan-2-yl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061907
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
N-butan-2-yl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061908
N-[(2R)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895378
N-[(2S)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895379
N-butan-2-yl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061912
N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061919
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
1-[4-(benzenesulfonamido)phenyl]-N-butan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061902

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 46378154) is N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is CCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is MZUISUGFAXGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-6-18(5)24-22(26)23(11-12-23)19-7-9-20(10-8-19)25-29(27,28)21-14-16(3)15(2)13-17(21)4/h7-10,13-14,18,25H,6,11-12H2,1-5H3,(H,24,26).
What are the key properties of N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46378154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).