N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C19H23N3O4S — CID 11940175

IUPACN-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-7-16(8-5-13)27(24,25)22(3)12-19(23)21-20-11-15-6-9-18(26-15)17-10-14(17)2/h4-9,11,14,17H,10,12H2,1-3H3,(H,21,23)/b20-11-/t14-,17+/m0/s1
InChIKeyFYYGHTGIWORZCZ-YASQXWSASA-N
MW389.48 g/mol
LogP2.48
Rot. Bonds7

About N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 11940175) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID11940175
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-7-16(8-5-13)27(24,25)22(3)12-19(23)21-20-11-15-6-9-18(26-15)17-10-14(17)2/h4-9,11,14,17H,10,12H2,1-3H3,(H,21,23)/b20-11-/t14-,17+/m0/s1
InChIKeyFYYGHTGIWORZCZ-YASQXWSASA-N
XLogP2.48
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 9396397
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 84932337
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 9122680
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9174623
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122678
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9395401

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 11940175) is N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1.
What is the InChIKey of N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is FYYGHTGIWORZCZ-YASQXWSASA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-4-7-16(8-5-13)27(24,25)22(3)12-19(23)21-20-11-15-6-9-18(26-15)17-10-14(17)2/h4-9,11,14,17H,10,12H2,1-3H3,(H,21,23)/b20-11-/t14-,17+/m0/s1.
What are the key properties of N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 11940175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).