5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

C22H24N4O4S2 — CID 10624280

IUPAC5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC[C@H](N(C)S(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)s1
InChIInChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1
InChIKeyOGMALKMSTCZRBZ-IBGZPJMESA-N
MW472.59 g/mol
LogP2.62
Rot. Bonds7

About 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide (PubChem CID 10624280) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
PubChem CID10624280
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC[C@H](N(C)S(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)s1
InChIInChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1
InChIKeyOGMALKMSTCZRBZ-IBGZPJMESA-N
XLogP2.62
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The IUPAC name of 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide (CID 10624280) is 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide.
What is the SMILES notation for 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The canonical SMILES for 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(CN2CC[C@H](N(C)S(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)s1.
What is the InChIKey of 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The InChIKey is OGMALKMSTCZRBZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1.
What are the key properties of 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide has a molecular weight of 472.59 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide is sourced from PubChem (CID 10624280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).