1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide

C20H24N2O4S — CID 20971593

IUPAC1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)21-19(23)20(12-13-20)15-4-6-16(7-5-15)22-27(24,25)18-10-8-17(26-3)9-11-18/h4-11,14,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyVJHNMZRMDLEKGT-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.05
Rot. Bonds7

About 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide

1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 20971593) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID20971593
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)21-19(23)20(12-13-20)15-4-6-16(7-5-15)22-27(24,25)18-10-8-17(26-3)9-11-18/h4-11,14,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyVJHNMZRMDLEKGT-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061782
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062320
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-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-butan-2-yl-1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061924
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide (CID 20971593) is 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is VJHNMZRMDLEKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)21-19(23)20(12-13-20)15-4-6-16(7-5-15)22-27(24,25)18-10-8-17(26-3)9-11-18/h4-11,14,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide?
1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 20971593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).