N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide

C15H18N4O2S — CID 44560935

IUPACN-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide
SMILESCN(CCN)C(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C15H18N4O2S/c1-19(8-7-16)14(20)11-9-12(10-5-3-2-4-6-10)22-13(11)18-15(17)21/h2-6,9H,7-8,16H2,1H3,(H3,17,18,21)
InChIKeyUMSXQTWXTNELRU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.94
Rot. Bonds5

About N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide

N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide (PubChem CID 44560935) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide
PubChem CID44560935
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide
SMILESCN(CCN)C(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C15H18N4O2S/c1-19(8-7-16)14(20)11-9-12(10-5-3-2-4-6-10)22-13(11)18-15(17)21/h2-6,9H,7-8,16H2,1H3,(H3,17,18,21)
InChIKeyUMSXQTWXTNELRU-UHFFFAOYSA-N
XLogP1.94
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide (CID 44560935) is N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide is CN(CCN)C(=O)c1cc(-c2ccccc2)sc1NC(N)=O.
What is the InChIKey of N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide?
The InChIKey is UMSXQTWXTNELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(8-7-16)14(20)11-9-12(10-5-3-2-4-6-10)22-13(11)18-15(17)21/h2-6,9H,7-8,16H2,1H3,(H3,17,18,21).
What are the key properties of N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide?
N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(carbamoylamino)-N-methyl-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).