N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C21H18ClN5OS — CID 41189251

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C21H18ClN5OS/c22-16-8-9-18(27-14-23-13-25-27)17(11-16)26-20(28)12-24-21(19-7-4-10-29-19)15-5-2-1-3-6-15/h1-11,13-14,21,24H,12H2,(H,26,28)/t21-/m1/s1
InChIKeyBPZCQEMEDMDPMS-OAQYLSRUSA-N
MW423.93 g/mol
LogP4.30
Rot. Bonds7

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 41189251) has the molecular formula C21H18ClN5OS and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID41189251
Molecular FormulaC21H18ClN5OS
Molecular Weight423.93 g/mol
Exact Mass423.09
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C21H18ClN5OS/c22-16-8-9-18(27-14-23-13-25-27)17(11-16)26-20(28)12-24-21(19-7-4-10-29-19)15-5-2-1-3-6-15/h1-11,13-14,21,24H,12H2,(H,26,28)/t21-/m1/s1
InChIKeyBPZCQEMEDMDPMS-OAQYLSRUSA-N
XLogP4.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide with MolForge

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 46566856
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537022
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376172
N-(2,5-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051761
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 9324048
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 16559003
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9050475
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
CID 9306640

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 41189251) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is BPZCQEMEDMDPMS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18ClN5OS/c22-16-8-9-18(27-14-23-13-25-27)17(11-16)26-20(28)12-24-21(19-7-4-10-29-19)15-5-2-1-3-6-15/h1-11,13-14,21,24H,12H2,(H,26,28)/t21-/m1/s1.
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 423.93 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 41189251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).