N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide

C14H23N5O2S — CID 46676315

IUPACN-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide
SMILESCC(C)c1nnc(SC(C(=O)NC(N)=O)C(C)C)n1C1CC1
InChIInChI=1S/C14H23N5O2S/c1-7(2)10(12(20)16-13(15)21)22-14-18-17-11(8(3)4)19(14)9-5-6-9/h7-10H,5-6H2,1-4H3,(H3,15,16,20,21)
InChIKeyNEQWQQAOQSOQAQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.05
Rot. Bonds6

About N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide

N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide (PubChem CID 46676315) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide
PubChem CID46676315
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide
SMILESCC(C)c1nnc(SC(C(=O)NC(N)=O)C(C)C)n1C1CC1
InChIInChI=1S/C14H23N5O2S/c1-7(2)10(12(20)16-13(15)21)22-14-18-17-11(8(3)4)19(14)9-5-6-9/h7-10H,5-6H2,1-4H3,(H3,15,16,20,21)
InChIKeyNEQWQQAOQSOQAQ-UHFFFAOYSA-N
XLogP2.05
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide with MolForge

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Related Compounds

(2R)-N-carbamoyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9377742
(2S)-N-carbamoyl-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-3-methylbutanamide
CID 25341824
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 25473323
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 27046259
(2S)-N-carbamoyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8722724
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
N-cyclopentyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 37251718
(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888906
(2S)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7252858
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589
(2S)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 52509687
(2S)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7183732

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide?
The IUPAC name of N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide (CID 46676315) is N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide.
What is the SMILES notation for N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide?
The canonical SMILES for N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide is CC(C)c1nnc(SC(C(=O)NC(N)=O)C(C)C)n1C1CC1.
What is the InChIKey of N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide?
The InChIKey is NEQWQQAOQSOQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-7(2)10(12(20)16-13(15)21)22-14-18-17-11(8(3)4)19(14)9-5-6-9/h7-10H,5-6H2,1-4H3,(H3,15,16,20,21).
What are the key properties of N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide?
N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide has a molecular weight of 325.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide is sourced from PubChem (CID 46676315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).