2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide

C16H20ClN3O4S — CID 177149921

IUPAC2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide
SMILESCNC(=O)CCC(C=O)NC(=O)c1c(NC(C)=O)sc(C2CC2)c1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-8(22)19-16-12(13(17)14(25-16)9-3-4-9)15(24)20-10(7-21)5-6-11(23)18-2/h7,9-10H,3-6H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyNLDSABCRZLQZAS-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.06
Rot. Bonds8

About 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide

2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide (PubChem CID 177149921) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide
PubChem CID177149921
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide
SMILESCNC(=O)CCC(C=O)NC(=O)c1c(NC(C)=O)sc(C2CC2)c1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-8(22)19-16-12(13(17)14(25-16)9-3-4-9)15(24)20-10(7-21)5-6-11(23)18-2/h7,9-10H,3-6H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyNLDSABCRZLQZAS-UHFFFAOYSA-N
XLogP2.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-4-chloro-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408106
2-acetamido-4-chloro-5-cyclopropyl-N-(6-hydroxy-2-oxopiperidin-3-yl)thiophene-3-carboxamide
CID 156435080
2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
CID 156745127
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
CID 156745128
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
CID 166152006
2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide
CID 167248686
2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431087

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide (CID 177149921) is 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide is CNC(=O)CCC(C=O)NC(=O)c1c(NC(C)=O)sc(C2CC2)c1Cl.
What is the InChIKey of 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide?
The InChIKey is NLDSABCRZLQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-8(22)19-16-12(13(17)14(25-16)9-3-4-9)15(24)20-10(7-21)5-6-11(23)18-2/h7,9-10H,3-6H2,1-2H3,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide?
2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 177149921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).