N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide

C20H22Cl2N4O3S — CID 3312919

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1(NC(=O)c2ccc(Cl)s2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N4O3S/c21-14-3-1-13(2-4-14)17(27)24-11-12-25-19(29)20(7-9-23-10-8-20)26-18(28)15-5-6-16(22)30-15/h1-6,23H,7-12H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyGUXUDRSGZCDAAM-UHFFFAOYSA-N
MW469.39 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide (PubChem CID 3312919) has the molecular formula C20H22Cl2N4O3S and a molecular weight of 469.39 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide
PubChem CID3312919
Molecular FormulaC20H22Cl2N4O3S
Molecular Weight469.39 g/mol
Exact Mass468.08
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1(NC(=O)c2ccc(Cl)s2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N4O3S/c21-14-3-1-13(2-4-14)17(27)24-11-12-25-19(29)20(7-9-23-10-8-20)26-18(28)15-5-6-16(22)30-15/h1-6,23H,7-12H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyGUXUDRSGZCDAAM-UHFFFAOYSA-N
XLogP2.45
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(4,5-dimethylfuran-2-carbonyl)amino]piperidine-4-carboxamide
CID 3574681
2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide
CID 74224446
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide
CID 74229224
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[(E)-2-phenylethenyl]sulfanylacetyl]amino]piperidine-4-carboxamide
CID 74226084
N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 3676682
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
CID 3865572
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
5-chloro-N-[2-[[4-[(Z)-N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 11752034
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide (CID 3312919) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide is O=C(NCCNC(=O)C1(NC(=O)c2ccc(Cl)s2)CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide?
The InChIKey is GUXUDRSGZCDAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O3S/c21-14-3-1-13(2-4-14)17(27)24-11-12-25-19(29)20(7-9-23-10-8-20)26-18(28)15-5-6-16(22)30-15/h1-6,23H,7-12H2,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide has a molecular weight of 469.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 3312919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).