(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide

C14H19N3O4S — CID 9190126

IUPAC(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C14H19N3O4S/c1-4-15-14(19)9(3)17-22(20,21)10-5-6-12-11(7-10)8(2)13(18)16-12/h5-9,17H,4H2,1-3H3,(H,15,19)(H,16,18)/t8-,9+/m1/s1
InChIKeyIQTBNFQYTJJOMY-BDAKNGLRSA-N
MW325.39 g/mol
LogP0.55
Rot. Bonds5

About (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide

(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 9190126) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID9190126
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C14H19N3O4S/c1-4-15-14(19)9(3)17-22(20,21)10-5-6-12-11(7-10)8(2)13(18)16-12/h5-9,17H,4H2,1-3H3,(H,15,19)(H,16,18)/t8-,9+/m1/s1
InChIKeyIQTBNFQYTJJOMY-BDAKNGLRSA-N
XLogP0.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
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CID 9189795
3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 138041210
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CID 9188900
(3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188763
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(3R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188790
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 9190126) is (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide is CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2.
What is the InChIKey of (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is IQTBNFQYTJJOMY-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-15-14(19)9(3)17-22(20,21)10-5-6-12-11(7-10)8(2)13(18)16-12/h5-9,17H,4H2,1-3H3,(H,15,19)(H,16,18)/t8-,9+/m1/s1.
What are the key properties of (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide?
(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 325.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 9190126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).