N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide

C8H11N3O2S — CID 115282462

IUPACN-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cccs1
InChIInChI=1S/C8H11N3O2S/c9-8(13)11-4-3-10-7(12)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,12)(H3,9,11,13)
InChIKeyBBHKBMQVHXZNIP-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.15
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide

N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide (PubChem CID 115282462) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
PubChem CID115282462
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cccs1
InChIInChI=1S/C8H11N3O2S/c9-8(13)11-4-3-10-7(12)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,12)(H3,9,11,13)
InChIKeyBBHKBMQVHXZNIP-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide (CID 115282462) is N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide is NC(=O)NCCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is BBHKBMQVHXZNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-8(13)11-4-3-10-7(12)6-2-1-5-14-6/h1-2,5H,3-4H2,(H,10,12)(H3,9,11,13).
What are the key properties of N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide?
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 115282462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).