N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide

C16H23N5O3S — CID 95870932

IUPACN-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide
SMILESCCNC(=O)C[C@H]1COCCN1Cc1ccc(Sc2nncn2C)o1
InChIInChI=1S/C16H23N5O3S/c1-3-17-14(22)8-12-10-23-7-6-21(12)9-13-4-5-15(24-13)25-16-19-18-11-20(16)2/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,22)/t12-/m0/s1
InChIKeyRITOQYDERSQNIW-LBPRGKRZSA-N
MW365.46 g/mol
LogP1.29
Rot. Bonds7

About N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide

N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide (PubChem CID 95870932) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide
PubChem CID95870932
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide
SMILESCCNC(=O)C[C@H]1COCCN1Cc1ccc(Sc2nncn2C)o1
InChIInChI=1S/C16H23N5O3S/c1-3-17-14(22)8-12-10-23-7-6-21(12)9-13-4-5-15(24-13)25-16-19-18-11-20(16)2/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,22)/t12-/m0/s1
InChIKeyRITOQYDERSQNIW-LBPRGKRZSA-N
XLogP1.29
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62432573
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651883
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 131947620
2-[(2S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29022534
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356
N-[(4aR,6S,7aS)-2-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylbutanamide
CID 169419257
2-[(3S)-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]morpholin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95861619
(3R,4R)-4-[ethyl-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 46998402
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 56882842
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 134707994
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide?
The IUPAC name of N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide (CID 95870932) is N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide is CCNC(=O)C[C@H]1COCCN1Cc1ccc(Sc2nncn2C)o1.
What is the InChIKey of N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide?
The InChIKey is RITOQYDERSQNIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-17-14(22)8-12-10-23-7-6-21(12)9-13-4-5-15(24-13)25-16-19-18-11-20(16)2/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,22)/t12-/m0/s1.
What are the key properties of N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide?
N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95870932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).