N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide

C11H21N3O3S2 — CID 134204313

IUPACN-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide
SMILESCCNC(=O)CCC(CNC(=O)CS)NC(=O)CS
InChIInChI=1S/C11H21N3O3S2/c1-2-12-9(15)4-3-8(14-11(17)7-19)5-13-10(16)6-18/h8,18-19H,2-7H2,1H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyLWDPBWJKHRRWQC-UHFFFAOYSA-N
MW307.44 g/mol
LogP-0.64
Rot. Bonds9

About N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide

N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide (PubChem CID 134204313) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide
PubChem CID134204313
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC NameN-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide
SMILESCCNC(=O)CCC(CNC(=O)CS)NC(=O)CS
InChIInChI=1S/C11H21N3O3S2/c1-2-12-9(15)4-3-8(14-11(17)7-19)5-13-10(16)6-18/h8,18-19H,2-7H2,1H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyLWDPBWJKHRRWQC-UHFFFAOYSA-N
XLogP-0.64
TPSA87.30 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N,N'-diethylnonanediamide
CID 89048639
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
CID 155261151
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
CID 175846430
N,N'-diethylpropanediamide
CID 4600245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide?
The IUPAC name of N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide (CID 134204313) is N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide.
What is the SMILES notation for N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide?
The canonical SMILES for N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide is CCNC(=O)CCC(CNC(=O)CS)NC(=O)CS.
What is the InChIKey of N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide?
The InChIKey is LWDPBWJKHRRWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-2-12-9(15)4-3-8(14-11(17)7-19)5-13-10(16)6-18/h8,18-19H,2-7H2,1H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide?
N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide has a molecular weight of 307.44 g/mol, XLogP of -0.64, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide is sourced from PubChem (CID 134204313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).