2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

C28H31N3O6S — CID 100795678

IUPAC2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C28H31N3O6S/c1-4-30(38(34,35)25-14-12-24(13-15-25)37-5-2)19-27(32)29-22-9-6-20-16-17-31(26(20)18-22)28(33)21-7-10-23(36-3)11-8-21/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,29,32)
InChIKeyZWGIBCQSADEEFZ-UHFFFAOYSA-N
MW537.64 g/mol
LogP3.95
Rot. Bonds10

About 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100795678) has the molecular formula C28H31N3O6S and a molecular weight of 537.64 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
PubChem CID100795678
Molecular FormulaC28H31N3O6S
Molecular Weight537.64 g/mol
Exact Mass537.19
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C28H31N3O6S/c1-4-30(38(34,35)25-14-12-24(13-15-25)37-5-2)19-27(32)29-22-9-6-20-16-17-31(26(20)18-22)28(33)21-7-10-23(36-3)11-8-21/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,29,32)
InChIKeyZWGIBCQSADEEFZ-UHFFFAOYSA-N
XLogP3.95
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100797695
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-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100793523
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100790090
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794010
4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
CID 100785320
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (CID 100795678) is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The InChIKey is ZWGIBCQSADEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6S/c1-4-30(38(34,35)25-14-12-24(13-15-25)37-5-2)19-27(32)29-22-9-6-20-16-17-31(26(20)18-22)28(33)21-7-10-23(36-3)11-8-21/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,29,32).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 537.64 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100795678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).