2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

C17H29N3O3S — CID 139516928

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCCCC1=O
InChIInChI=1S/C17H29N3O3S/c21-15(12-24-13-16(22)19-11-14-5-4-6-14)18-8-10-20-9-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,21)(H,19,22)
InChIKeyFQKGVLDFZFMKPB-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.15
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (PubChem CID 139516928) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
PubChem CID139516928
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCCCC1=O
InChIInChI=1S/C17H29N3O3S/c21-15(12-24-13-16(22)19-11-14-5-4-6-14)18-8-10-20-9-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,21)(H,19,22)
InChIKeyFQKGVLDFZFMKPB-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 139516961
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 167261261
N-[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethyl]-2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanylacetamide
CID 139516972
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-hydroxy-2-oxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 167260939
(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide
CID 139517145
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
N-(cyclopropylmethyl)-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]piperidine-3-carboxamide
CID 87014329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide (CID 139516928) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1CCCCCC1=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
The InChIKey is FQKGVLDFZFMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c21-15(12-24-13-16(22)19-11-14-5-4-6-14)18-8-10-20-9-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,21)(H,19,22).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide has a molecular weight of 355.50 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 139516928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).