N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide

C19H23F3N2OS — CID 58834472

IUPACN-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@H](CCNC(=O)Cc1cccs1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2OS/c1-13(2)17(9-10-23-18(25)12-16-4-3-11-26-16)24-15-7-5-14(6-8-15)19(20,21)22/h3-8,11,13,17,24H,9-10,12H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyKARIVILGDIIZID-KRWDZBQOSA-N
MW384.47 g/mol
LogP4.95
Rot. Bonds8

About N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide

N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide (PubChem CID 58834472) has the molecular formula C19H23F3N2OS and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide
PubChem CID58834472
Molecular FormulaC19H23F3N2OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide
SMILESCC(C)[C@H](CCNC(=O)Cc1cccs1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2OS/c1-13(2)17(9-10-23-18(25)12-16-4-3-11-26-16)24-15-7-5-14(6-8-15)19(20,21)22/h3-8,11,13,17,24H,9-10,12H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyKARIVILGDIIZID-KRWDZBQOSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 9276937
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
(2S)-2-amino-3-methyl-N-[(2R)-3-methyl-2-[4-(trifluoromethyl)anilino]butyl]butanamide
CID 58834443
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide (CID 58834472) is N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide is CC(C)[C@H](CCNC(=O)Cc1cccs1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide?
The InChIKey is KARIVILGDIIZID-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23F3N2OS/c1-13(2)17(9-10-23-18(25)12-16-4-3-11-26-16)24-15-7-5-14(6-8-15)19(20,21)22/h3-8,11,13,17,24H,9-10,12H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide?
N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide has a molecular weight of 384.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 58834472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).