N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

C17H19N3O4S — CID 155947053

IUPACN-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccccc1SCCC(N)=O
InChIInChI=1S/C17H19N3O4S/c1-11(19-17(23)13-6-4-9-24-13)16(22)20-12-5-2-3-7-14(12)25-10-8-15(18)21/h2-7,9,11H,8,10H2,1H3,(H2,18,21)(H,19,23)(H,20,22)
InChIKeySGEGGNHOQXVAQY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.00
Rot. Bonds8

About N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 155947053) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID155947053
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccccc1SCCC(N)=O
InChIInChI=1S/C17H19N3O4S/c1-11(19-17(23)13-6-4-9-24-13)16(22)20-12-5-2-3-7-14(12)25-10-8-15(18)21/h2-7,9,11H,8,10H2,1H3,(H2,18,21)(H,19,23)(H,20,22)
InChIKeySGEGGNHOQXVAQY-UHFFFAOYSA-N
XLogP2.00
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylbutanamide
CID 120500378
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 56557256
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 155947053) is N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1ccccc1SCCC(N)=O.
What is the InChIKey of N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is SGEGGNHOQXVAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(19-17(23)13-6-4-9-24-13)16(22)20-12-5-2-3-7-14(12)25-10-8-15(18)21/h2-7,9,11H,8,10H2,1H3,(H2,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 155947053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).