2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide

C17H26N4O2S — CID 60599449

IUPAC2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C17H26N4O2S/c1-12-11-13-5-3-4-6-15(13)21(12)9-8-19-16(22)14(7-10-24-2)20-17(18)23/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H3,18,20,23)
InChIKeyCPSLVBOAKZFRPX-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.34
Rot. Bonds8

About 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 60599449) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide
PubChem CID60599449
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCCN1c2ccccc2CC1C
InChIInChI=1S/C17H26N4O2S/c1-12-11-13-5-3-4-6-15(13)21(12)9-8-19-16(22)14(7-10-24-2)20-17(18)23/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H3,18,20,23)
InChIKeyCPSLVBOAKZFRPX-UHFFFAOYSA-N
XLogP1.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111345353
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 104906801
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55802358
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide (CID 60599449) is 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NCCN1c2ccccc2CC1C.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is CPSLVBOAKZFRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12-11-13-5-3-4-6-15(13)21(12)9-8-19-16(22)14(7-10-24-2)20-17(18)23/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H3,18,20,23).
What are the key properties of 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 350.49 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 60599449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).