(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide

About (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide

(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide (PubChem CID 170187464) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide
PubChem CID	170187464
Molecular Formula	C24H31N5O4S
Molecular Weight	485.61 g/mol
Exact Mass	485.21
IUPAC Name	(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide
SMILES	C=NC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](SC)CN1C(=O)c1cc2c(OC)cccc2[nH]1
InChI	InChI=1S/C24H31N5O4S/c1-25-12-15(9-14-7-8-26-22(14)30)27-23(31)20-10-16(34-3)13-29(20)24(32)19-11-17-18(28-19)5-4-6-21(17)33-2/h4-6,11,14-16,20,28H,1,7-10,12-13H2,2-3H3,(H,26,30)(H,27,31)/t14-,15-,16+,20-/m0/s1
InChIKey	DXIXJXOFBTXJRE-MFCZKXCZSA-N
XLogP	1.83
TPSA	115.89 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide (CID 170187464) is (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide is C=NC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](SC)CN1C(=O)c1cc2c(OC)cccc2[nH]1.

What is the InChIKey of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide?

The InChIKey is DXIXJXOFBTXJRE-MFCZKXCZSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-25-12-15(9-14-7-8-26-22(14)30)27-23(31)20-10-16(34-3)13-29(20)24(32)19-11-17-18(28-19)5-4-6-21(17)33-2/h4-6,11,14-16,20,28H,1,7-10,12-13H2,2-3H3,(H,26,30)(H,27,31)/t14-,15-,16+,20-/m0/s1.

What are the key properties of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide?

(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-(methylideneamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylsulfanylpyrrolidine-2-carboxamide is sourced from PubChem (CID 170187464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).