(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

C19H23N5O4S2 — CID 92882209

IUPAC(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C19H23N5O4S2/c1-13(17(25)21-18-20-7-11-29-18)22-30(27,28)15-4-5-16-14(12-15)6-10-24(16)19(26)23-8-2-3-9-23/h4-5,7,11-13,22H,2-3,6,8-10H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyTVEKKPDLGDIEPH-ZDUSSCGKSA-N
MW449.56 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 92882209) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID92882209
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC Name(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C19H23N5O4S2/c1-13(17(25)21-18-20-7-11-29-18)22-30(27,28)15-4-5-16-14(12-15)6-10-24(16)19(26)23-8-2-3-9-23/h4-5,7,11-13,22H,2-3,6,8-10H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyTVEKKPDLGDIEPH-ZDUSSCGKSA-N
XLogP2.03
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 92882209) is (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is TVEKKPDLGDIEPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-13(17(25)21-18-20-7-11-29-18)22-30(27,28)15-4-5-16-14(12-15)6-10-24(16)19(26)23-8-2-3-9-23/h4-5,7,11-13,22H,2-3,6,8-10H2,1H3,(H,20,21,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 449.56 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 92882209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).