N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide

C27H22Cl2N2O4S2 — CID 44627175

IUPACN-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide
SMILESCN1C(=O)C(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21
InChIInChI=1S/C27H22Cl2N2O4S2/c1-31-22-8-4-7-18(11-12-23(32)30-37(34,35)24-15-21(28)26(29)36-24)25(22)20(27(31)33)14-16-9-10-17-5-2-3-6-19(17)13-16/h2-10,13,15,20H,11-12,14H2,1H3,(H,30,32)
InChIKeyGSMAPKFLUHDKRW-UHFFFAOYSA-N
MW573.52 g/mol
LogP5.95
Rot. Bonds7

About N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide

N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide (PubChem CID 44627175) has the molecular formula C27H22Cl2N2O4S2 and a molecular weight of 573.52 g/mol. Its IUPAC name is N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide
PubChem CID44627175
Molecular FormulaC27H22Cl2N2O4S2
Molecular Weight573.52 g/mol
Exact Mass572.04
IUPAC NameN-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide
SMILESCN1C(=O)C(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21
InChIInChI=1S/C27H22Cl2N2O4S2/c1-31-22-8-4-7-18(11-12-23(32)30-37(34,35)24-15-21(28)26(29)36-24)25(22)20(27(31)33)14-16-9-10-17-5-2-3-6-19(17)13-16/h2-10,13,15,20H,11-12,14H2,1H3,(H,30,32)
InChIKeyGSMAPKFLUHDKRW-UHFFFAOYSA-N
XLogP5.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885539
5-chloro-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}thiophene-2-sulfonamide
CID 16030927
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(3a-methyl-1-(naphthalen-2-ylmethyl)-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)acrylamide
CID 44571206
N-[4-[(E)-3-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-oxoprop-1-enyl]-1-methyl-2-oxo-3H-indol-3-yl]naphthalene-2-carboxamide
CID 44627398
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885387
3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885431
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885602
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acrylamide
CID 46885603
3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885652
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl)acrylamide
CID 46885654
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885686
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885882

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide?
The IUPAC name of N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide (CID 44627175) is N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide.
What is the SMILES notation for N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide?
The canonical SMILES for N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide is CN1C(=O)C(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21.
What is the InChIKey of N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide?
The InChIKey is GSMAPKFLUHDKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O4S2/c1-31-22-8-4-7-18(11-12-23(32)30-37(34,35)24-15-21(28)26(29)36-24)25(22)20(27(31)33)14-16-9-10-17-5-2-3-6-19(17)13-16/h2-10,13,15,20H,11-12,14H2,1H3,(H,30,32).
What are the key properties of N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide?
N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide has a molecular weight of 573.52 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-4-yl]propanamide is sourced from PubChem (CID 44627175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).