N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide

C22H25N3O3S2 — CID 71795509

IUPACN-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCc2sc(-c3ccccc3C)nc2C)cc1
InChIInChI=1S/C22H25N3O3S2/c1-4-7-21(26)25-17-10-12-18(13-11-17)30(27,28)23-14-20-16(3)24-22(29-20)19-9-6-5-8-15(19)2/h5-6,8-13,23H,4,7,14H2,1-3H3,(H,25,26)
InChIKeyDQLOVUUQLMSHOP-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.64
Rot. Bonds8

About N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide

N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide (PubChem CID 71795509) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide
PubChem CID71795509
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCc2sc(-c3ccccc3C)nc2C)cc1
InChIInChI=1S/C22H25N3O3S2/c1-4-7-21(26)25-17-10-12-18(13-11-17)30(27,28)23-14-20-16(3)24-22(29-20)19-9-6-5-8-15(19)2/h5-6,8-13,23H,4,7,14H2,1-3H3,(H,25,26)
InChIKeyDQLOVUUQLMSHOP-UHFFFAOYSA-N
XLogP4.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
4-butoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121906
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121985
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121901
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 121123362
2-methyl-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-nitrobenzenesulfonamide
CID 121121924
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547317

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide (CID 71795509) is N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)NCc2sc(-c3ccccc3C)nc2C)cc1.
What is the InChIKey of N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide?
The InChIKey is DQLOVUUQLMSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-4-7-21(26)25-17-10-12-18(13-11-17)30(27,28)23-14-20-16(3)24-22(29-20)19-9-6-5-8-15(19)2/h5-6,8-13,23H,4,7,14H2,1-3H3,(H,25,26).
What are the key properties of N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide?
N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide has a molecular weight of 443.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfamoyl]phenyl]butanamide is sourced from PubChem (CID 71795509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).