(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone

C22H27N3O7S3 — CID 4646378

IUPAC(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone
SMILESCC1Cc2ccc(S(=O)(=O)N3CCOCC3)cc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C22H27N3O7S3/c1-16-12-17-2-3-18(34(27,28)23-4-8-31-9-5-23)13-20(17)25(16)22(26)21-14-19(15-33-21)35(29,30)24-6-10-32-11-7-24/h2-3,13-16H,4-12H2,1H3
InChIKeyPQFJQPFCCLCPBU-UHFFFAOYSA-N
MW541.67 g/mol
LogP1.38
Rot. Bonds5

About (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone

(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone (PubChem CID 4646378) has the molecular formula C22H27N3O7S3 and a molecular weight of 541.67 g/mol. Its IUPAC name is (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone
PubChem CID4646378
Molecular FormulaC22H27N3O7S3
Molecular Weight541.67 g/mol
Exact Mass541.10
IUPAC Name(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone
SMILESCC1Cc2ccc(S(=O)(=O)N3CCOCC3)cc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C22H27N3O7S3/c1-16-12-17-2-3-18(34(27,28)23-4-8-31-9-5-23)13-20(17)25(16)22(26)21-14-19(15-33-21)35(29,30)24-6-10-32-11-7-24/h2-3,13-16H,4-12H2,1H3
InChIKeyPQFJQPFCCLCPBU-UHFFFAOYSA-N
XLogP1.38
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
1-(4-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 27261011
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
1-(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 22550721
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2372444
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 16761905
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503499
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 6503526
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43900265

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone (CID 4646378) is (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone is CC1Cc2ccc(S(=O)(=O)N3CCOCC3)cc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is PQFJQPFCCLCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S3/c1-16-12-17-2-3-18(34(27,28)23-4-8-31-9-5-23)13-20(17)25(16)22(26)21-14-19(15-33-21)35(29,30)24-6-10-32-11-7-24/h2-3,13-16H,4-12H2,1H3.
What are the key properties of (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone?
(2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 541.67 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-(4-morpholin-4-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 4646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).