N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide

C22H27N3O2S2 — CID 5245125

IUPACN,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H27N3O2S2/c1-4-16-25-21(17-28-22(25)23-19-10-8-7-9-11-19)18-12-14-20(15-13-18)29(26,27)24(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3/b23-22-
InChIKeyPYXVDZNMIADNMB-FCQUAONHSA-N
MW429.61 g/mol
LogP4.89
Rot. Bonds8

About N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide

N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 5245125) has the molecular formula C22H27N3O2S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID5245125
Molecular FormulaC22H27N3O2S2
Molecular Weight429.61 g/mol
Exact Mass429.15
IUPAC NameN,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H27N3O2S2/c1-4-16-25-21(17-28-22(25)23-19-10-8-7-9-11-19)18-12-14-20(15-13-18)29(26,27)24(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3/b23-22-
InChIKeyPYXVDZNMIADNMB-FCQUAONHSA-N
XLogP4.89
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804
N,N-diethyl-3-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 4701302
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
4-[2-(4-ethoxyphenyl)imino-3-hexyl-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18812946
4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813011
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
N,N-dimethyl-3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 2027730
4-[2-(4-ethoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813069
4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylimino-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 5229584
2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 20527217
4-[2-(4-methoxyphenyl)imino-3-pentyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812706

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 5245125) is N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide is CCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is PYXVDZNMIADNMB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H27N3O2S2/c1-4-16-25-21(17-28-22(25)23-19-10-8-7-9-11-19)18-12-14-20(15-13-18)29(26,27)24(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3/b23-22-.
What are the key properties of N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide?
N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 429.61 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 5245125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).