2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide

C16H20N4O2S — CID 44560914

IUPAC2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C16H20N4O2S/c1-20(2)9-8-18-14(21)12-10-13(11-6-4-3-5-7-11)23-15(12)19-16(17)22/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyCVPFIDSMZYYLHW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.20
Rot. Bonds6

About 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide (PubChem CID 44560914) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide
PubChem CID44560914
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C16H20N4O2S/c1-20(2)9-8-18-14(21)12-10-13(11-6-4-3-5-7-11)23-15(12)19-16(17)22/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyCVPFIDSMZYYLHW-UHFFFAOYSA-N
XLogP2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide (CID 44560914) is 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The InChIKey is CVPFIDSMZYYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20(2)9-8-18-14(21)12-10-13(11-6-4-3-5-7-11)23-15(12)19-16(17)22/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H3,17,19,22).
What are the key properties of 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(dimethylamino)ethyl]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).