3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide

C24H27N5O4S — CID 142630750

IUPAC3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)cc(CN2CC[C@H](NCS(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)c1
InChIInChI=1S/C24H27N5O4S/c1-33-20-4-2-16-3-5-21(12-17(16)11-20)34(31,32)14-28-22-6-7-29(24(22)30)13-15-8-18(23(26)27)10-19(25)9-15/h2-5,8-12,22,28H,6-7,13-14,25H2,1H3,(H3,26,27)/t22-/m0/s1
InChIKeyNCXXOADFBPZAIX-QFIPXVFZSA-N
MW481.58 g/mol
LogP1.84
Rot. Bonds8

About 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide

3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 142630750) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
PubChem CID142630750
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)cc(CN2CC[C@H](NCS(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)c1
InChIInChI=1S/C24H27N5O4S/c1-33-20-4-2-16-3-5-21(12-17(16)11-20)34(31,32)14-28-22-6-7-29(24(22)30)13-15-8-18(23(26)27)10-19(25)9-15/h2-5,8-12,22,28H,6-7,13-14,25H2,1H3,(H3,26,27)/t22-/m0/s1
InChIKeyNCXXOADFBPZAIX-QFIPXVFZSA-N
XLogP1.84
TPSA151.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-3-carboximidamide;2,2,2-trifluoroacetic acid
CID 67583055
3-[[(3R)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10766061
3-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10721219
2-[[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]-N,N-dimethylacetamide
CID 18392280
4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
CID 10322586
3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(thiophen-3-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 11800766
N-[1-[(2-aminoquinolin-6-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 10116445
2-[[(3S)-1-[(2-carbamimidoyl-4-pyridinyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide
CID 18392260
5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
CID 10624280
7-methoxy-N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 140986658
4-[2-[3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 18989287
N-[(3S)-1-[(2-amino-3H-benzimidazol-5-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
CID 134146016

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide (CID 142630750) is 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(N)cc(CN2CC[C@H](NCS(=O)(=O)c3ccc4ccc(OC)cc4c3)C2=O)c1.
What is the InChIKey of 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is NCXXOADFBPZAIX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-33-20-4-2-16-3-5-21(12-17(16)11-20)34(31,32)14-28-22-6-7-29(24(22)30)13-15-8-18(23(26)27)10-19(25)9-15/h2-5,8-12,22,28H,6-7,13-14,25H2,1H3,(H3,26,27)/t22-/m0/s1.
What are the key properties of 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 481.58 g/mol, XLogP of 1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylmethylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 142630750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).