3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide

C14H16ClN3O2S — CID 106241425

IUPAC3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)CCCCNC(=O)c1sc2cccc(Cl)c2c1N
InChIInChI=1S/C14H16ClN3O2S/c15-8-4-3-5-9-11(8)12(17)13(21-9)14(20)18-7-2-1-6-10(16)19/h3-5H,1-2,6-7,17H2,(H2,16,19)(H,18,20)
InChIKeyHBGUGDOJNHTFBF-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide

3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide (PubChem CID 106241425) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
PubChem CID106241425
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)CCCCNC(=O)c1sc2cccc(Cl)c2c1N
InChIInChI=1S/C14H16ClN3O2S/c15-8-4-3-5-9-11(8)12(17)13(21-9)14(20)18-7-2-1-6-10(16)19/h3-5H,1-2,6-7,17H2,(H2,16,19)(H,18,20)
InChIKeyHBGUGDOJNHTFBF-UHFFFAOYSA-N
XLogP2.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 106174302
3-amino-4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107855016
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954
3,4-dichloro-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 39854884
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
3-amino-4-bromo-N-hexyl-1-benzothiophene-2-carboxamide
CID 114889180
3,4-dichloro-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
CID 35561731
3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106137816
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
CID 66354000

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide (CID 106241425) is 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide is NC(=O)CCCCNC(=O)c1sc2cccc(Cl)c2c1N.
What is the InChIKey of 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is HBGUGDOJNHTFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-8-4-3-5-9-11(8)12(17)13(21-9)14(20)18-7-2-1-6-10(16)19/h3-5H,1-2,6-7,17H2,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide?
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106241425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).