N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C22H25N3O3S2 — CID 51931287

IUPACN-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C22H25N3O3S2/c1-30(27,28)25-22-23-19(16-29-22)15-21(26)24-20(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16,20H,8,11,14-15H2,1H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyMEVAWVVFRCHHIX-HXUWFJFHSA-N
MW443.59 g/mol
LogP3.94
Rot. Bonds10

About N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 51931287) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID51931287
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C22H25N3O3S2/c1-30(27,28)25-22-23-19(16-29-22)15-21(26)24-20(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16,20H,8,11,14-15H2,1H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyMEVAWVVFRCHHIX-HXUWFJFHSA-N
XLogP3.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]methanesulfonamide;hydrochloride
CID 87242893
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740
N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
CID 112837699
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 51931287) is N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CS(=O)(=O)Nc1nc(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cs1.
What is the InChIKey of N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MEVAWVVFRCHHIX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-30(27,28)25-22-23-19(16-29-22)15-21(26)24-20(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,16,20H,8,11,14-15H2,1H3,(H,23,25)(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51931287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).