N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide

C27H33N5O4S2 — CID 58393290

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2nc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)cs2)c(C)c1
InChIInChI=1S/C27H33N5O4S2/c1-18-14-22(36-5)15-19(2)25(18)38(34,35)32(4)16-24-30-23(17-37-24)27(33)31(3)13-10-20-6-8-21(9-7-20)26-28-11-12-29-26/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,28,29)
InChIKeySUZIDHZMCNXTLX-UHFFFAOYSA-N
MW555.73 g/mol
LogP3.25
Rot. Bonds10

About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 58393290) has the molecular formula C27H33N5O4S2 and a molecular weight of 555.73 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID58393290
Molecular FormulaC27H33N5O4S2
Molecular Weight555.73 g/mol
Exact Mass555.20
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2nc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)cs2)c(C)c1
InChIInChI=1S/C27H33N5O4S2/c1-18-14-22(36-5)15-19(2)25(18)38(34,35)32(4)16-24-30-23(17-37-24)27(33)31(3)13-10-20-6-8-21(9-7-20)26-28-11-12-29-26/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,28,29)
InChIKeySUZIDHZMCNXTLX-UHFFFAOYSA-N
XLogP3.25
TPSA104.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methoxybenzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-YL)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831281
N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9456324
N-(3-methoxybenzyl)-2-(phenylsulfonamido)thiazole-4-carboxamide
CID 25405414
N-(3-methoxyphenethyl)-2-(phenylsulfonamido)thiazole-4-carboxamide
CID 25405415
2-(4-methoxyphenylsulfonamido)-N-phenethylthiazole-4-carboxamide
CID 25405524
N-(4-methoxyphenethyl)-2-(4-methoxyphenylsulfonamido)thiazole-4-carboxamide
CID 25405529
2-(4-methoxyphenylsulfonamido)-N-(3-phenylpropyl)thiazole-4-carboxamide
CID 25405530
N-(3-methoxybenzyl)-2-(4-methoxyphenylsulfonamido)thiazole-4-carboxamide
CID 25405580
N-(3-methoxyphenethyl)-2-(4-methoxyphenylsulfonamido)thiazole-4-carboxamide
CID 25405582
N-benzyl-2-(4-methoxyphenylsulfonamido)thiazole-4-carboxamide
CID 42109085
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 24849736
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 58393240

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 58393290) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide is COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)cs2)c(C)c1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SUZIDHZMCNXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S2/c1-18-14-22(36-5)15-19(2)25(18)38(34,35)32(4)16-24-30-23(17-37-24)27(33)31(3)13-10-20-6-8-21(9-7-20)26-28-11-12-29-26/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,28,29).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 555.73 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58393290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).