5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

C14H14Cl2N2O2S2 — CID 3100298

IUPAC5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyIXABHFHDNJGNHD-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.06
Rot. Bonds7

About 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (PubChem CID 3100298) has the molecular formula C14H14Cl2N2O2S2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
PubChem CID3100298
Molecular FormulaC14H14Cl2N2O2S2
Molecular Weight377.32 g/mol
Exact Mass375.99
IUPAC Name5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C14H14Cl2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyIXABHFHDNJGNHD-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 6602903
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2712625
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1246945
5-chloro-N-methylthiophene-2-carboxamide
CID 13411287
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
5-methyl-N-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145954988
5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (CID 3100298) is 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is O=C(NCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The InChIKey is IXABHFHDNJGNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(5-chlorothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 3100298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).