(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C23H29N3O4S — CID 41000946

IUPAC(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O4S/c1-17-9-10-20(16-22(17)31(28,29)25-12-14-30-15-13-25)24-23(27)18(2)26-11-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-10,16,18H,5,7,11-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyKXMICGWONRMBOB-SFHVURJKSA-N
MW443.57 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 41000946) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID41000946
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O4S/c1-17-9-10-20(16-22(17)31(28,29)25-12-14-30-15-13-25)24-23(27)18(2)26-11-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-10,16,18H,5,7,11-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyKXMICGWONRMBOB-SFHVURJKSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
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CID 41144591
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8686429
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25347097
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124809702
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41236594
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
(2R)-2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 98419905
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4832765

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 41000946) is (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is KXMICGWONRMBOB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-9-10-20(16-22(17)31(28,29)25-12-14-30-15-13-25)24-23(27)18(2)26-11-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-10,16,18H,5,7,11-15H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 443.57 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 41000946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).