N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide

C8H11N3O2S2 — CID 107034097

IUPACN-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cc(S)cs1
InChIInChI=1S/C8H11N3O2S2/c9-8(13)11-2-1-10-7(12)6-3-5(14)4-15-6/h3-4,14H,1-2H2,(H,10,12)(H3,9,11,13)
InChIKeyOQOSFGOAUHOVMT-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.43
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide

N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107034097) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107034097
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cc(S)cs1
InChIInChI=1S/C8H11N3O2S2/c9-8(13)11-2-1-10-7(12)6-3-5(14)4-15-6/h3-4,14H,1-2H2,(H,10,12)(H3,9,11,13)
InChIKeyOQOSFGOAUHOVMT-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107028742
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028283
N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107031671
N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
CID 107032718

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide (CID 107034097) is N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide is NC(=O)NCCNC(=O)c1cc(S)cs1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is OQOSFGOAUHOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c9-8(13)11-2-1-10-7(12)6-3-5(14)4-15-6/h3-4,14H,1-2H2,(H,10,12)(H3,9,11,13).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107034097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).