N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide

C14H22N2O3S — CID 100563073

IUPACN-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-11(2)12(3)15-14(17)10-16(20(4,18)19)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyYUVBBGQDMSGLTE-LBPRGKRZSA-N
MW298.41 g/mol
LogP1.61
Rot. Bonds6

About N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide

N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 100563073) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID100563073
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
SMILESCC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-11(2)12(3)15-14(17)10-16(20(4,18)19)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyYUVBBGQDMSGLTE-LBPRGKRZSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 125075731
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563293

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide (CID 100563073) is N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide is CC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is YUVBBGQDMSGLTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)12(3)15-14(17)10-16(20(4,18)19)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100563073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).