1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide

C23H28N2O6S — CID 92880189

IUPAC1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c1
InChIInChI=1S/C23H28N2O6S/c1-29-18-9-10-20(30-2)21(14-18)32(27,28)25-17-7-5-16(6-8-17)23(11-12-23)22(26)24-15-19-4-3-13-31-19/h5-10,14,19,25H,3-4,11-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyRSQHYVBKNFOGCF-IBGZPJMESA-N
MW460.55 g/mol
LogP2.83
Rot. Bonds9

About 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 92880189) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID92880189
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c1
InChIInChI=1S/C23H28N2O6S/c1-29-18-9-10-20(30-2)21(14-18)32(27,28)25-17-7-5-16(6-8-17)23(11-12-23)22(26)24-15-19-4-3-13-31-19/h5-10,14,19,25H,3-4,11-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyRSQHYVBKNFOGCF-IBGZPJMESA-N
XLogP2.83
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822359
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 50822417
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827022
N-(oxolan-2-ylmethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378114
N-[[(2R)-oxolan-2-yl]methyl]-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 92880194
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
1-[4-(benzenesulfonamido)phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 46384143
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 50822322

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide (CID 92880189) is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is RSQHYVBKNFOGCF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-29-18-9-10-20(30-2)21(14-18)32(27,28)25-17-7-5-16(6-8-17)23(11-12-23)22(26)24-15-19-4-3-13-31-19/h5-10,14,19,25H,3-4,11-13,15H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92880189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).