N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C18H25N3O3S2 — CID 51864935

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2cccs2)N(C)C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-14-7-9-15(10-8-14)26(23,24)21(4)13-18(22)19-12-16(20(2)3)17-6-5-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyMSZGXWQNYJMSBV-MRXNPFEDSA-N
MW395.55 g/mol
LogP2.10
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 51864935) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID51864935
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2cccs2)N(C)C)cc1
InChIInChI=1S/C18H25N3O3S2/c1-14-7-9-15(10-8-14)26(23,24)21(4)13-18(22)19-12-16(20(2)3)17-6-5-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyMSZGXWQNYJMSBV-MRXNPFEDSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
2-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18169478
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 46522932
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 55830901
N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
CID 9474767
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 51864935) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is MSZGXWQNYJMSBV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-14-7-9-15(10-8-14)26(23,24)21(4)13-18(22)19-12-16(20(2)3)17-6-5-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 51864935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).