N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide

C20H21N5O2S2 — CID 37483984

IUPACN-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C20H21N5O2S2/c1-24-13-21-23-20(24)29-12-18(26)22-15-5-2-4-14(10-15)19(27)25(16-7-8-16)11-17-6-3-9-28-17/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,22,26)
InChIKeySWRWXPUKUWQYPQ-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.41
Rot. Bonds8

About N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide

N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 37483984) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID37483984
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC NameN-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C20H21N5O2S2/c1-24-13-21-23-20(24)29-12-18(26)22-15-5-2-4-14(10-15)19(27)25(16-7-8-16)11-17-6-3-9-28-17/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,22,26)
InChIKeySWRWXPUKUWQYPQ-UHFFFAOYSA-N
XLogP3.41
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2385860
N-ethyl-N-(2-ethylbutyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 52723556
N-(1-cyclopropylethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55385135
methyl 3-[benzyl-[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoyl]amino]propanoate
CID 55513921
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43008293
N-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46699417
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-(3-methylbutan-2-yl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 51153959
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26065719
N-(3-anilinopropyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 56586412
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
N-benzhydryl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 39677159

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide (CID 37483984) is N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide is Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is SWRWXPUKUWQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c1-24-13-21-23-20(24)29-12-18(26)22-15-5-2-4-14(10-15)19(27)25(16-7-8-16)11-17-6-3-9-28-17/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,22,26).
What are the key properties of N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide?
N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 427.56 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 37483984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).