N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide

C14H20N2O3S2 — CID 115629451

IUPACN,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC2CC2)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O3S2/c1-9-13(21(15,18)19)6-12(20-9)14(17)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H2,15,18,19)
InChIKeyCEJRPTHLPWVZBS-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.97
Rot. Bonds6

About N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide

N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115629451) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID115629451
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC2CC2)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O3S2/c1-9-13(21(15,18)19)6-12(20-9)14(17)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H2,15,18,19)
InChIKeyCEJRPTHLPWVZBS-UHFFFAOYSA-N
XLogP1.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide (CID 115629451) is N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)N(CC2CC2)CC2CC2)cc1S(N)(=O)=O.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is CEJRPTHLPWVZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-9-13(21(15,18)19)6-12(20-9)14(17)16(7-10-2-3-10)8-11-4-5-11/h6,10-11H,2-5,7-8H2,1H3,(H2,15,18,19).
What are the key properties of N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide?
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 328.46 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,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115629451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).