N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride

C14H24ClN3O4S — CID 119619609

IUPACN-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)o1
InChIInChI=1S/C14H23N3O4S.ClH/c15-22(19,20)13-8-7-12(21-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11;/h7-8,11,16H,1-6,9-10H2,(H,17,18)(H2,15,19,20);1H
InChIKeyCPSKUHXBMJRAQE-UHFFFAOYSA-N
MW365.88 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride (PubChem CID 119619609) has the molecular formula C14H24ClN3O4S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride
PubChem CID119619609
Molecular FormulaC14H24ClN3O4S
Molecular Weight365.88 g/mol
Exact Mass365.12
IUPAC NameN-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)o1
InChIInChI=1S/C14H23N3O4S.ClH/c15-22(19,20)13-8-7-12(21-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11;/h7-8,11,16H,1-6,9-10H2,(H,17,18)(H2,15,19,20);1H
InChIKeyCPSKUHXBMJRAQE-UHFFFAOYSA-N
XLogP1.39
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 51.39
H-Bond Donors ≤ 53
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-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
CID 119619320
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
N-[2-(aminomethyl)cyclohexyl]-5-sulfamoylfuran-2-carboxamide
CID 119609825
N-cyclohexyl-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 47323040
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride (CID 119619609) is N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)o1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride?
The InChIKey is CPSKUHXBMJRAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S.ClH/c15-22(19,20)13-8-7-12(21-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11;/h7-8,11,16H,1-6,9-10H2,(H,17,18)(H2,15,19,20);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119619609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).