N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide

C12H20N2O3S2 — CID 112676812

IUPACN,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3,(H2,13,16,17)
InChIKeyRSUCQAGPOAXJQI-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.97
Rot. Bonds6

About N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide

N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 112676812) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID112676812
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3,(H2,13,16,17)
InChIKeyRSUCQAGPOAXJQI-UHFFFAOYSA-N
XLogP1.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 115612484
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711
5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 115994133
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide (CID 112676812) is N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide is CCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)s1.
What is the InChIKey of N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is RSUCQAGPOAXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3,(H2,13,16,17).
What are the key properties of N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide?
N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 112676812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).