N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

C14H21ClN2O4S — CID 3139121

IUPACN-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-5-10(2)16-14(18)9-17(22(4,19)20)12-8-11(15)6-7-13(12)21-3/h6-8,10H,5,9H2,1-4H3,(H,16,18)
InChIKeyZTZJISRTEPODAG-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.03
Rot. Bonds7

About N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 3139121) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID3139121
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC NameN-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-5-10(2)16-14(18)9-17(22(4,19)20)12-8-11(15)6-7-13(12)21-3/h6-8,10H,5,9H2,1-4H3,(H,16,18)
InChIKeyZTZJISRTEPODAG-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(5-chloro-2-methoxyphenyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide
CID 1294827
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-cyclohexylacetamide
CID 16456960
N-(5-chloro-2-methoxyphenyl)-N'-cyclohexylurea
CID 742626
N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 4594798
N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 651189
N-cyclohexyl-N~2~-(2-methoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 700539
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 999494
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (CID 3139121) is N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is ZTZJISRTEPODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-5-10(2)16-14(18)9-17(22(4,19)20)12-8-11(15)6-7-13(12)21-3/h6-8,10H,5,9H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 348.85 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3139121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).