ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate

C27H26N2O5S — CID 100766467

IUPACethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C27H26N2O5S/c1-2-34-26(31)27(15-16-27)21-9-11-22(12-10-21)28-25(30)20-8-13-24-19(18-20)14-17-29(24)35(32,33)23-6-4-3-5-7-23/h3-13,18H,2,14-17H2,1H3,(H,28,30)
InChIKeyUTJKYUHWPAGFSZ-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.28
Rot. Bonds7

About ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate (PubChem CID 100766467) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
PubChem CID100766467
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Nameethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C27H26N2O5S/c1-2-34-26(31)27(15-16-27)21-9-11-22(12-10-21)28-25(30)20-8-13-24-19(18-20)14-17-29(24)35(32,33)23-6-4-3-5-7-23/h3-13,18H,2,14-17H2,1H3,(H,28,30)
InChIKeyUTJKYUHWPAGFSZ-UHFFFAOYSA-N
XLogP4.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
CID 46389774
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100766585
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
1-(4-chlorophenyl)sulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801370

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate (CID 100766467) is ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
The InChIKey is UTJKYUHWPAGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-2-34-26(31)27(15-16-27)21-9-11-22(12-10-21)28-25(30)20-8-13-24-19(18-20)14-17-29(24)35(32,33)23-6-4-3-5-7-23/h3-13,18H,2,14-17H2,1H3,(H,28,30).
What are the key properties of ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 100766467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).