N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C18H23N3O3S2 — CID 46564173

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H23N3O3S2/c1-14-12-15(21-9-3-4-10-21)7-8-16(14)19-17(22)13-20(2)26(23,24)18-6-5-11-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,19,22)
InChIKeyGYMKFYVMPBLSDJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.92
Rot. Bonds6

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 46564173) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID46564173
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H23N3O3S2/c1-14-12-15(21-9-3-4-10-21)7-8-16(14)19-17(22)13-20(2)26(23,24)18-6-5-11-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,19,22)
InChIKeyGYMKFYVMPBLSDJ-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088648
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17431538
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489697
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 56568228
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 27808046
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 51135124
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18094899

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 46564173) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is GYMKFYVMPBLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-14-12-15(21-9-3-4-10-21)7-8-16(14)19-17(22)13-20(2)26(23,24)18-6-5-11-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 393.53 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 46564173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).