N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

C16H20N2O4S3 — CID 86900163

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESO=C(NCCOCC1CC1)c1sccc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C16H20N2O4S3/c19-16(17-6-7-22-11-12-3-4-12)15-14(5-9-24-15)25(20,21)18-10-13-2-1-8-23-13/h1-2,5,8-9,12,18H,3-4,6-7,10-11H2,(H,17,19)
InChIKeyVWIKWTHYRUWRNM-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.44
Rot. Bonds10

About N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 86900163) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
PubChem CID86900163
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
SMILESO=C(NCCOCC1CC1)c1sccc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C16H20N2O4S3/c19-16(17-6-7-22-11-12-3-4-12)15-14(5-9-24-15)25(20,21)18-10-13-2-1-8-23-13/h1-2,5,8-9,12,18H,3-4,6-7,10-11H2,(H,17,19)
InChIKeyVWIKWTHYRUWRNM-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119451091
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86951524
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195
1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770393
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide (CID 86900163) is N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is O=C(NCCOCC1CC1)c1sccc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is VWIKWTHYRUWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c19-16(17-6-7-22-11-12-3-4-12)15-14(5-9-24-15)25(20,21)18-10-13-2-1-8-23-13/h1-2,5,8-9,12,18H,3-4,6-7,10-11H2,(H,17,19).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 86900163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).