2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

C31H35N3O5S — CID 100790090

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(C4CCCCC4)S(=O)(=O)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C31H35N3O5S/c1-22-8-16-28(17-9-22)40(37,38)34(26-6-4-3-5-7-26)21-30(35)32-25-13-10-23-18-19-33(29(23)20-25)31(36)24-11-14-27(39-2)15-12-24/h8-17,20,26H,3-7,18-19,21H2,1-2H3,(H,32,35)
InChIKeyMFNDCROZYGLLRJ-UHFFFAOYSA-N
MW561.70 g/mol
LogP5.17
Rot. Bonds8

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100790090) has the molecular formula C31H35N3O5S and a molecular weight of 561.70 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
PubChem CID100790090
Molecular FormulaC31H35N3O5S
Molecular Weight561.70 g/mol
Exact Mass561.23
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(C4CCCCC4)S(=O)(=O)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C31H35N3O5S/c1-22-8-16-28(17-9-22)40(37,38)34(26-6-4-3-5-7-26)21-30(35)32-25-13-10-23-18-19-33(29(23)20-25)31(36)24-11-14-27(39-2)15-12-24/h8-17,20,26H,3-7,18-19,21H2,1-2H3,(H,32,35)
InChIKeyMFNDCROZYGLLRJ-UHFFFAOYSA-N
XLogP5.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.70
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide with MolForge

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Related Compounds

2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100793523
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100795678
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100790515
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794607
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100797695
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794010
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 1002068

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (CID 100790090) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(C4CCCCC4)S(=O)(=O)c4ccc(C)cc4)cc32)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The InChIKey is MFNDCROZYGLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5S/c1-22-8-16-28(17-9-22)40(37,38)34(26-6-4-3-5-7-26)21-30(35)32-25-13-10-23-18-19-33(29(23)20-25)31(36)24-11-14-27(39-2)15-12-24/h8-17,20,26H,3-7,18-19,21H2,1-2H3,(H,32,35).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 561.70 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100790090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).