3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide

C22H27ClN2O5S — CID 55662638

IUPAC3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cc(Cl)c1OCC(C)C
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)14-30-21-18(23)12-17(13-20(21)29-3)22(26)24-9-11-31(27,28)25-10-8-16-6-4-5-7-19(16)25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,26)
InChIKeyLAOZBJDTQQOUMK-UHFFFAOYSA-N
MW466.99 g/mol
LogP3.51
Rot. Bonds9

About 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 55662638) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID55662638
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cc(Cl)c1OCC(C)C
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)14-30-21-18(23)12-17(13-20(21)29-3)22(26)24-9-11-31(27,28)25-10-8-16-6-4-5-7-19(16)25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,26)
InChIKeyLAOZBJDTQQOUMK-UHFFFAOYSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
3-chloro-4-ethoxy-5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 46455832
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 55662732
N-[1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55685369
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111217703
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide (CID 55662638) is 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is LAOZBJDTQQOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-15(2)14-30-21-18(23)12-17(13-20(21)29-3)22(26)24-9-11-31(27,28)25-10-8-16-6-4-5-7-19(16)25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,26).
What are the key properties of 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 466.99 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 55662638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).