N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide

C13H22N2O3S2 — CID 97212315

IUPACN-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide
SMILESCc1cc([C@H](NC(=O)CNS(C)(=O)=O)C(C)C)c(C)s1
InChIInChI=1S/C13H22N2O3S2/c1-8(2)13(11-6-9(3)19-10(11)4)15-12(16)7-14-20(5,17)18/h6,8,13-14H,7H2,1-5H3,(H,15,16)/t13-/m1/s1
InChIKeyLMBLKTXMCGMBAM-CYBMUJFWSA-N
MW318.46 g/mol
LogP1.73
Rot. Bonds6

About N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide (PubChem CID 97212315) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide
PubChem CID97212315
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide
SMILESCc1cc([C@H](NC(=O)CNS(C)(=O)=O)C(C)C)c(C)s1
InChIInChI=1S/C13H22N2O3S2/c1-8(2)13(11-6-9(3)19-10(11)4)15-12(16)7-14-20(5,17)18/h6,8,13-14H,7H2,1-5H3,(H,15,16)/t13-/m1/s1
InChIKeyLMBLKTXMCGMBAM-CYBMUJFWSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide
CID 75370648
N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 56789336
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 103898723
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 124592558
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75514559
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
3-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 97067920
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide (CID 97212315) is N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide is Cc1cc([C@H](NC(=O)CNS(C)(=O)=O)C(C)C)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide?
The InChIKey is LMBLKTXMCGMBAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-8(2)13(11-6-9(3)19-10(11)4)15-12(16)7-14-20(5,17)18/h6,8,13-14H,7H2,1-5H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide?
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide has a molecular weight of 318.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 97212315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).