N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H24N2O3S2 — CID 52909093

IUPACN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-19(2)11-10-16(14-7-4-5-8-15(14)19)20-17(22)13-21(3)26(23,24)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyASCFTDBNDASPOK-INIZCTEOSA-N
MW392.55 g/mol
LogP3.30
Rot. Bonds5

About N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 52909093) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID52909093
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-19(2)11-10-16(14-7-4-5-8-15(14)19)20-17(22)13-21(3)26(23,24)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyASCFTDBNDASPOK-INIZCTEOSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909094
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 52510634
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 51273162
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18165137
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
CID 62696486
2-(cyclopropylmethylamino)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide;hydrochloride
CID 119758390
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 52909093) is N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ASCFTDBNDASPOK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-19(2)11-10-16(14-7-4-5-8-15(14)19)20-17(22)13-21(3)26(23,24)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 392.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 52909093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).