N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide

C19H26N4O2S — CID 125157933

IUPACN-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2sccc2C)N(C)C)c1
InChIInChI=1S/C19H26N4O2S/c1-12-6-7-15(21-14(3)24)10-16(12)22-19(25)20-11-17(23(4)5)18-13(2)8-9-26-18/h6-10,17H,11H2,1-5H3,(H,21,24)(H2,20,22,25)/t17-/m1/s1
InChIKeyPTSAJXQRLYTPAD-QGZVFWFLSA-N
MW374.51 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide

N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide (PubChem CID 125157933) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
PubChem CID125157933
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2sccc2C)N(C)C)c1
InChIInChI=1S/C19H26N4O2S/c1-12-6-7-15(21-14(3)24)10-16(12)22-19(25)20-11-17(23(4)5)18-13(2)8-9-26-18/h6-10,17H,11H2,1-5H3,(H,21,24)(H2,20,22,25)/t17-/m1/s1
InChIKeyPTSAJXQRLYTPAD-QGZVFWFLSA-N
XLogP3.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N'-(2,5-dimethylphenyl)propanediamide
CID 50958954
1-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 126433139
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698
N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide
CID 95145437
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992462

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide (CID 125157933) is N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2sccc2C)N(C)C)c1.
What is the InChIKey of N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide?
The InChIKey is PTSAJXQRLYTPAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-6-7-15(21-14(3)24)10-16(12)22-19(25)20-11-17(23(4)5)18-13(2)8-9-26-18/h6-10,17H,11H2,1-5H3,(H,21,24)(H2,20,22,25)/t17-/m1/s1.
What are the key properties of N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide?
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 125157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).