2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide

C16H27N3O3S — CID 139517115

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O3S/c1-12-8-16(22)19(9-12)7-6-17-14(20)10-23-11-15(21)18-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyBGAFCKMRRMSXEM-LBPRGKRZSA-N
MW341.48 g/mol
LogP0.76
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide (PubChem CID 139517115) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
PubChem CID139517115
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O3S/c1-12-8-16(22)19(9-12)7-6-17-14(20)10-23-11-15(21)18-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyBGAFCKMRRMSXEM-LBPRGKRZSA-N
XLogP0.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide with MolForge

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Related Compounds

2-(cyclopentylthio)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789138
2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
CID 75374709
1-cyclopentyl-4-[(tetrahydro-2H-thiopyran-4-ylamino)methyl]pyrrolidin-2-one
CID 50970230
3-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 53549217
2-[2-Oxo-4-(propan-2-ylsulfanylmethyl)pyrrolidin-1-yl]butanamide
CID 22387031
(2S)-2-{4-[(isopropylsulfanyl)methyl]-2-oxo-1-pyrrolidinyl}butanamide
CID 57478744
S-[2-[[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-2-oxoethyl] ethanethioate
CID 59400537
(2R)-2-[4-[[[2-[2-(methylamino)-2-oxoethyl]sulfanylacetyl]amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 68150335
(2R)-2-[4-[2-[[2-[2-(methylamino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 68150336
(2R)-2-[4-[[(2-methylsulfanylacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 68150337
(2R)-2-[4-[2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 68150781
(2R)-2-[4-[[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 68150805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide (CID 139517115) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide is C[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is BGAFCKMRRMSXEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12-8-16(22)19(9-12)7-6-17-14(20)10-23-11-15(21)18-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 139517115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).