N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C28H32N4O4S — CID 2511795

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C28H32N4O4S/c1-3-31(4-2)19-17-29-27(33)22-12-14-24(15-13-22)30-28(34)23-9-7-10-25(20-23)37(35,36)32-18-16-21-8-5-6-11-26(21)32/h5-15,20H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyREYZGSSMQXUIEY-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.76
Rot. Bonds10

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 2511795) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID2511795
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C28H32N4O4S/c1-3-31(4-2)19-17-29-27(33)22-12-14-24(15-13-22)30-28(34)23-9-7-10-25(20-23)37(35,36)32-18-16-21-8-5-6-11-26(21)32/h5-15,20H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyREYZGSSMQXUIEY-UHFFFAOYSA-N
XLogP3.76
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 2511795) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is REYZGSSMQXUIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-3-31(4-2)19-17-29-27(33)22-12-14-24(15-13-22)30-28(34)23-9-7-10-25(20-23)37(35,36)32-18-16-21-8-5-6-11-26(21)32/h5-15,20H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 520.66 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 2511795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).