N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C21H26N2O3S — CID 92895376

IUPACN-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-4-16(3)22-20(24)21(13-14-21)17-7-9-18(10-8-17)23-27(25,26)19-11-5-15(2)6-12-19/h5-12,16,23H,4,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyZENKJBNNAAWGFQ-MRXNPFEDSA-N
MW386.52 g/mol
LogP3.74
Rot. Bonds7

About N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 92895376) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID92895376
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-4-16(3)22-20(24)21(13-14-21)17-7-9-18(10-8-17)23-27(25,26)19-11-5-15(2)6-12-19/h5-12,16,23H,4,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyZENKJBNNAAWGFQ-MRXNPFEDSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
N-[(2R)-butan-2-yl]-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895402
1-[4-(benzenesulfonamido)phenyl]-N-butan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061902
N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378154
N-butan-2-yl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061908
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
N-butan-2-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061910
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-butan-2-yl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061907
1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 20971593
N-butan-2-yl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061912

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 92895376) is N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZENKJBNNAAWGFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-16(3)22-20(24)21(13-14-21)17-7-9-18(10-8-17)23-27(25,26)19-11-5-15(2)6-12-19/h5-12,16,23H,4,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92895376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).