N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C17H21FN2O3S2 — CID 18138818

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1cc(CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C17H21FN2O3S2/c1-13-11-14(7-8-15(13)18)12-19-16(21)5-3-9-20(2)25(22,23)17-6-4-10-24-17/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyPMYPDRVXOILNAF-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.91
Rot. Bonds8

About N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 18138818) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID18138818
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1cc(CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C17H21FN2O3S2/c1-13-11-14(7-8-15(13)18)12-19-16(21)5-3-9-20(2)25(22,23)17-6-4-10-24-17/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyPMYPDRVXOILNAF-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
N-[2-[[3-[(4-fluoro-3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 66878799
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 18138818) is N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is Cc1cc(CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is PMYPDRVXOILNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c1-13-11-14(7-8-15(13)18)12-19-16(21)5-3-9-20(2)25(22,23)17-6-4-10-24-17/h4,6-8,10-11H,3,5,9,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 384.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 18138818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).