N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide

C22H23N3O2S2 — CID 39952290

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)s1
InChIInChI=1S/C22H23N3O2S2/c1-15(26)23-13-17-9-10-19(29-17)18-14-28-21(24-18)25-20(27)22(11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyQQNJPFGFYIMKIX-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.96
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 39952290) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID39952290
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)s1
InChIInChI=1S/C22H23N3O2S2/c1-15(26)23-13-17-9-10-19(29-17)18-14-28-21(24-18)25-20(27)22(11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyQQNJPFGFYIMKIX-UHFFFAOYSA-N
XLogP4.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41138041
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 26065990
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 55668720
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(N-methylanilino)benzamide
CID 55756263
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]propanamide
CID 24555636
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 55372945
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
CID 33002723
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55756558
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 24591137
N-[[5-[2-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 139700361

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 39952290) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is QQNJPFGFYIMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15(26)23-13-17-9-10-19(29-17)18-14-28-21(24-18)25-20(27)22(11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 39952290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).