N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide

C19H21NO3S — CID 130327235

IUPACN-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-8-10-16(11-9-15)14-24(22,23)20-18(21)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,21)
InChIKeyTUISLDIORBEVMI-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.06
Rot. Bonds5

About N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide

N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 130327235) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID130327235
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-8-10-16(11-9-15)14-24(22,23)20-18(21)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,21)
InChIKeyTUISLDIORBEVMI-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
CID 159326280
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide (CID 130327235) is N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide is Cc1ccc(CS(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is TUISLDIORBEVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-8-10-16(11-9-15)14-24(22,23)20-18(21)19(12-5-13-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide?
N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 130327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).