N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C21H26N2O4S — CID 92503889

IUPACN-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C21H26N2O4S/c1-4-15(2)22-20(24)21(13-14-21)16-5-7-17(8-6-16)23-28(25,26)19-11-9-18(27-3)10-12-19/h5-12,15,23H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeySFEHOFCVVVTJCY-HNNXBMFYSA-N
MW402.52 g/mol
LogP3.44
Rot. Bonds8

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

N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 92503889) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID92503889
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C21H26N2O4S/c1-4-15(2)22-20(24)21(13-14-21)16-5-7-17(8-6-16)23-28(25,26)19-11-9-18(27-3)10-12-19/h5-12,15,23H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeySFEHOFCVVVTJCY-HNNXBMFYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 20971593
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
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-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
N-butan-2-yl-1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061924
1-[4-(benzenesulfonamido)phenyl]-N-butan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061902
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
CID 50821478
N-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
N-[(2R)-butan-2-yl]-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895402
N-butan-2-yl-1-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378154

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 92503889) is N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is SFEHOFCVVVTJCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-15(2)22-20(24)21(13-14-21)16-5-7-17(8-6-16)23-28(25,26)19-11-9-18(27-3)10-12-19/h5-12,15,23H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92503889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).