N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C17H21ClN4OS2 — CID 71904870

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC(c2ccccc2Cl)N2CCCC2)s1
InChIInChI=1S/C17H21ClN4OS2/c1-12-20-21-17(25-12)24-11-16(23)19-10-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,19,23)
InChIKeyGEZXHSVTYOATRX-UHFFFAOYSA-N
MW396.97 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 71904870) has the molecular formula C17H21ClN4OS2 and a molecular weight of 396.97 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID71904870
Molecular FormulaC17H21ClN4OS2
Molecular Weight396.97 g/mol
Exact Mass396.08
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC(c2ccccc2Cl)N2CCCC2)s1
InChIInChI=1S/C17H21ClN4OS2/c1-12-20-21-17(25-12)24-11-16(23)19-10-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,19,23)
InChIKeyGEZXHSVTYOATRX-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.97
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
acetonitrile;tris(N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide);trihydrochloride
CID 175662898
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647156
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide
CID 55738308
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 46446913
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-3-ylpropanamide
CID 46446817

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 71904870) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCC(c2ccccc2Cl)N2CCCC2)s1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GEZXHSVTYOATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS2/c1-12-20-21-17(25-12)24-11-16(23)19-10-15(22-8-4-5-9-22)13-6-2-3-7-14(13)18/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 396.97 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 71904870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).